1-(3-Carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid
TL;DR: 1-(3-Carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid (CAS 439095-54-2) is a chemical compound with molecular formula C13H15N3O5 and molecular weight 293.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid
Also Known As: 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid, 1-[3-(aminocarbonyl)-4-nitrophenyl]-4-piperidinecarboxylic acid, aminocarbonylnitrophenylpiperidinecarboxylicacid, 6T-0237, 1-(3-carbamoyl-4-nitro-phenyl)piperidine-4-carboxylic Acid
| Molecular Formula | C13H15N3O5 |
|---|---|
| Molecular Weight | 293.10 g/mol |
| LogP | 0.9947 |
| Topological Polar Surface Area | 126.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.10117 |
| Heavy Atoms | 21 |
| Complexity | 593.46954 |
Chemical Identifiers
| CAS Number | 439095-54-2 |
|---|---|
| SMILES | C1CN(CCC1C(=O)O)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)N |
Product Overview
1-(3-Carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid (CAS 439095-54-2), with molecular formula C13H15N3O5 and molecular weight 293.10 g/mol. IUPAC: 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid.
Chemical Property Profile of 1-(3-Carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid
Property Insights of 1-(3-Carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid
The XLogP value of 0.9947 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid. The TPSA of 126.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid. Following Lipinski's Rule of Five, 1-(3-Carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid has 2 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-(3-Carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid?
The CAS number of 1-(3-Carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid is 439095-54-2.
What is the molecular formula of 1-(3-Carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid?
The molecular formula of 1-(3-Carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid is C13H15N3O5.
What is the molecular weight of 1-(3-Carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid?
The molecular weight of 1-(3-Carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid is 293.10 g/mol.
Where can I buy 1-(3-Carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid?
You can request a quote for 1-(3-Carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.