Ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate
TL;DR: Ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate (CAS 439095-47-3) is a chemical compound with molecular formula C15H19N3O5 and molecular weight 321.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate
Also Known As: ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate, ethyl 1-[3-(aminocarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate, ethylaminocarbonylnitrophenylpiperidinecarboxylate, 5T-0309, ethyl1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate
| Molecular Formula | C15H19N3O5 |
|---|---|
| Molecular Weight | 321.13 g/mol |
| LogP | 1.4732 |
| Topological Polar Surface Area | 115.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.13248 |
| Heavy Atoms | 23 |
| Complexity | 623.5384 |
Chemical Identifiers
| CAS Number | 439095-47-3 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)N |
Product Overview
Ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate (CAS 439095-47-3), with molecular formula C15H19N3O5 and molecular weight 321.13 g/mol. IUPAC: ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate
Property Insights of Ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate
The XLogP value of 1.4732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate. The TPSA of 115.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate has 1 hydrogen bond donor(s) and 6 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 Ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate?
The CAS number of Ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate is 439095-47-3.
What is the molecular formula of Ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate?
The molecular formula of Ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate is C15H19N3O5.
What is the molecular weight of Ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate?
The molecular weight of Ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate is 321.13 g/mol.
Where can I buy Ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate?
You can request a quote for Ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.