![(2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile structure](/static/products/494/494200-75-8.png)
(2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile
TL;DR: (2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile (CAS 494200-75-8) is a chemical compound with molecular formula C22H25N5O2 and molecular weight 391.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)-2-(piperidine-1-carbonyl)prop-2-enenitrile
Also Known As: (2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile, (E)-3-(4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(piperidine-1-carbonyl)acrylonitrile, (E)-3-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)-2-(piperidine-1-carbonyl)prop-2-enenitrile
| Molecular Formula | C22H25N5O2 |
|---|---|
| Molecular Weight | 391.20 g/mol |
| LogP | 2.60428 |
| Topological Polar Surface Area | 81.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.20084 |
| Heavy Atoms | 29 |
| Complexity | 1037.3292 |
Chemical Identifiers
| CAS Number | 494200-75-8 |
|---|---|
| SMILES | C1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)N4CCCCC4 |
Product Overview
(2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile (CAS 494200-75-8), with molecular formula C22H25N5O2 and molecular weight 391.20 g/mol. IUPAC: (E)-3-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)-2-(piperidine-1-carbonyl)prop-2-enenitrile.
Chemical Property Profile of (2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile
Property Insights of (2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile
The XLogP value of 2.60428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile. The TPSA of 81.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile?
The CAS number of (2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile is 494200-75-8.
What is the molecular formula of (2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile?
The molecular formula of (2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile is C22H25N5O2.
What is the molecular weight of (2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile?
The molecular weight of (2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile is 391.20 g/mol.
Where can I buy (2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile?
You can request a quote for (2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.