N-(3-Chlorophenyl)-4-methyl-1-piperazinecarboxamide
TL;DR: N-(3-Chlorophenyl)-4-methyl-1-piperazinecarboxamide (CAS 331838-96-1) is a chemical compound with molecular formula C12H16ClN3O and molecular weight 253.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-4-methylpiperazine-1-carboxamide
Also Known As: N-(3-chlorophenyl)-4-methyl-1-piperazinecarboxamide, BAS 05338662, N-(3-chlorophenyl)-4-methylpiperazine-1-carboxamide, 4-Methyl-piperazine-1-carboxylic acid (3-chloro-phenyl)-amide, 645-268-5
| Molecular Formula | C12H16ClN3O |
|---|---|
| Molecular Weight | 253.10 g/mol |
| LogP | 2.1193 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.09819 |
| Heavy Atoms | 17 |
| Complexity | 402.49216 |
Chemical Identifiers
| CAS Number | 331838-96-1 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)NC2=CC(=CC=C2)Cl |
Product Overview
N-(3-Chlorophenyl)-4-methyl-1-piperazinecarboxamide (CAS 331838-96-1), with molecular formula C12H16ClN3O and molecular weight 253.10 g/mol. IUPAC: N-(3-chlorophenyl)-4-methylpiperazine-1-carboxamide.
Chemical Property Profile of N-(3-Chlorophenyl)-4-methyl-1-piperazinecarboxamide
Property Insights of N-(3-Chlorophenyl)-4-methyl-1-piperazinecarboxamide
The XLogP value of 2.1193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Chlorophenyl)-4-methyl-1-piperazinecarboxamide. With a topological polar surface area (TPSA) of 35.58 Ų, N-(3-Chlorophenyl)-4-methyl-1-piperazinecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Chlorophenyl)-4-methyl-1-piperazinecarboxamide has 1 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 N-(3-Chlorophenyl)-4-methyl-1-piperazinecarboxamide?
The CAS number of N-(3-Chlorophenyl)-4-methyl-1-piperazinecarboxamide is 331838-96-1.
What is the molecular formula of N-(3-Chlorophenyl)-4-methyl-1-piperazinecarboxamide?
The molecular formula of N-(3-Chlorophenyl)-4-methyl-1-piperazinecarboxamide is C12H16ClN3O.
What is the molecular weight of N-(3-Chlorophenyl)-4-methyl-1-piperazinecarboxamide?
The molecular weight of N-(3-Chlorophenyl)-4-methyl-1-piperazinecarboxamide is 253.10 g/mol.
Where can I buy N-(3-Chlorophenyl)-4-methyl-1-piperazinecarboxamide?
You can request a quote for N-(3-Chlorophenyl)-4-methyl-1-piperazinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Chlorophenyl)-4-methyl-1-piperazinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chlorophenyl)-4-methyl-1-piperazinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.