1-(3-Cyano-1-methyl-1H-indol-2-ylmethyl)-piperidine-4-carboxylic acid amide
TL;DR: 1-(3-Cyano-1-methyl-1H-indol-2-ylmethyl)-piperidine-4-carboxylic acid amide (CAS 5816-94-4) is a chemical compound with molecular formula C17H20N4O and molecular weight 296.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide
Also Known As: ChemDiv2_002543, BAS 07119778, Phenyl-thiocarbamidsaeure-O-allylester, 1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide, 1-[(3-cyano-1-methyl-indol-2-yl)methyl]piperidine-4-carboxamide
| Molecular Formula | C17H20N4O |
|---|---|
| Molecular Weight | 296.16 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 75.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.1637 |
| Heavy Atoms | 22 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 5816-94-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1CN3CCC(CC3)C(=O)N)C#N |
| InChIKey | XKLFCEMHHDNAPE-UHFFFAOYSA-N |
Product Overview
1-(3-Cyano-1-methyl-1H-indol-2-ylmethyl)-piperidine-4-carboxylic acid amide (CAS 5816-94-4), with molecular formula C17H20N4O and molecular weight 296.16 g/mol. IUPAC: 1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide.
Chemical Property Profile of 1-(3-Cyano-1-methyl-1H-indol-2-ylmethyl)-piperidine-4-carboxylic acid amide
Property Insights of 1-(3-Cyano-1-methyl-1H-indol-2-ylmethyl)-piperidine-4-carboxylic acid amide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Cyano-1-methyl-1H-indol-2-ylmethyl)-piperidine-4-carboxylic acid amide. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Cyano-1-methyl-1H-indol-2-ylmethyl)-piperidine-4-carboxylic acid amide. Following Lipinski's Rule of Five, 1-(3-Cyano-1-methyl-1H-indol-2-ylmethyl)-piperidine-4-carboxylic acid amide has 1 hydrogen bond donor(s) and 3 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 1-(3-Cyano-1-methyl-1H-indol-2-ylmethyl)-piperidine-4-carboxylic acid amide?
The CAS number of 1-(3-Cyano-1-methyl-1H-indol-2-ylmethyl)-piperidine-4-carboxylic acid amide is 5816-94-4.
What is the molecular formula of 1-(3-Cyano-1-methyl-1H-indol-2-ylmethyl)-piperidine-4-carboxylic acid amide?
The molecular formula of 1-(3-Cyano-1-methyl-1H-indol-2-ylmethyl)-piperidine-4-carboxylic acid amide is C17H20N4O.
What is the molecular weight of 1-(3-Cyano-1-methyl-1H-indol-2-ylmethyl)-piperidine-4-carboxylic acid amide?
The molecular weight of 1-(3-Cyano-1-methyl-1H-indol-2-ylmethyl)-piperidine-4-carboxylic acid amide is 296.16 g/mol.
Where can I buy 1-(3-Cyano-1-methyl-1H-indol-2-ylmethyl)-piperidine-4-carboxylic acid amide?
You can request a quote for 1-(3-Cyano-1-methyl-1H-indol-2-ylmethyl)-piperidine-4-carboxylic acid amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Cyano-1-methyl-1H-indol-2-ylmethyl)-piperidine-4-carboxylic acid amide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Cyano-1-methyl-1H-indol-2-ylmethyl)-piperidine-4-carboxylic acid amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.