1-(4-Methylphenyl)-3-(piperidin-1-yl)pyrrolidin-2-one
TL;DR: 1-(4-Methylphenyl)-3-(piperidin-1-yl)pyrrolidin-2-one (CAS 5378-68-7) is a chemical compound with molecular formula C16H22N2O and molecular weight 258.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-3-piperidin-1-ylpyrrolidin-2-one
Also Known As: 1- -3- pyrrolidin-2-one, 3-Piperidino-1-(p-tolyl)-2-pyrrolidinone, 1-(4-methylphenyl)-3-(piperidin-1-yl)pyrrolidin-2-one, 2-Pyrrolidinone, 3-piperidino-1-(p-tolyl)-, 2-Pyrrolidinone, 3-piperidino-1-p-tolyl-
| Molecular Formula | C16H22N2O |
|---|---|
| Molecular Weight | 258.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.17322 |
| Heavy Atoms | 19 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 5378-68-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CCC(C2=O)N3CCCCC3 |
| InChIKey | WVIDHXRYTCCXBY-UHFFFAOYSA-N |
Product Overview
1-(4-Methylphenyl)-3-(piperidin-1-yl)pyrrolidin-2-one (CAS 5378-68-7), with molecular formula C16H22N2O and molecular weight 258.17 g/mol. IUPAC: 1-(4-methylphenyl)-3-piperidin-1-ylpyrrolidin-2-one.
Chemical Property Profile of 1-(4-Methylphenyl)-3-(piperidin-1-yl)pyrrolidin-2-one
Property Insights of 1-(4-Methylphenyl)-3-(piperidin-1-yl)pyrrolidin-2-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylphenyl)-3-(piperidin-1-yl)pyrrolidin-2-one. With a topological polar surface area (TPSA) of 23.6 Ų, 1-(4-Methylphenyl)-3-(piperidin-1-yl)pyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)-3-(piperidin-1-yl)pyrrolidin-2-one has 0 hydrogen bond donor(s) and 2 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-(4-Methylphenyl)-3-(piperidin-1-yl)pyrrolidin-2-one?
The CAS number of 1-(4-Methylphenyl)-3-(piperidin-1-yl)pyrrolidin-2-one is 5378-68-7.
What is the molecular formula of 1-(4-Methylphenyl)-3-(piperidin-1-yl)pyrrolidin-2-one?
The molecular formula of 1-(4-Methylphenyl)-3-(piperidin-1-yl)pyrrolidin-2-one is C16H22N2O.
What is the molecular weight of 1-(4-Methylphenyl)-3-(piperidin-1-yl)pyrrolidin-2-one?
The molecular weight of 1-(4-Methylphenyl)-3-(piperidin-1-yl)pyrrolidin-2-one is 258.17 g/mol.
Where can I buy 1-(4-Methylphenyl)-3-(piperidin-1-yl)pyrrolidin-2-one?
You can request a quote for 1-(4-Methylphenyl)-3-(piperidin-1-yl)pyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylphenyl)-3-(piperidin-1-yl)pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylphenyl)-3-(piperidin-1-yl)pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.