1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
TL;DR: 1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide (CAS 692775-29-4) is a chemical compound with molecular formula C13H17N3O5S and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide
Also Known As: 1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide, 1-methylsulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide, F5139-0397, 1-(methylsulfonyl)-N-(3-nitrophenyl)-4-piperidinecarboxamide
| Molecular Formula | C13H17N3O5S |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 1.2049 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.0889 |
| Heavy Atoms | 22 |
| Complexity | 680.6709 |
Chemical Identifiers
| CAS Number | 692775-29-4 |
|---|---|
| SMILES | CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide (CAS 692775-29-4), with molecular formula C13H17N3O5S and molecular weight 327.09 g/mol. IUPAC: 1-methylsulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide.
Chemical Property Profile of 1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
Property Insights of 1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
The XLogP value of 1.2049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide. Following Lipinski's Rule of Five, 1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide has 1 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 1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide?
The CAS number of 1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide is 692775-29-4.
What is the molecular formula of 1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide?
The molecular formula of 1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide is C13H17N3O5S.
What is the molecular weight of 1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide?
The molecular weight of 1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide is 327.09 g/mol.
Where can I buy 1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide?
You can request a quote for 1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.