![1-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester structure](/static/products/4614/461400-18-0.webp)
1-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester
TL;DR: 1-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester (CAS 461400-18-0) is a chemical compound with molecular formula C17H23FN2O3 and molecular weight 322.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-(3-fluoroanilino)-3-oxopropyl]piperidine-3-carboxylate
Also Known As: BAS 03086966, AT-057/43314955, 1-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester, ethyl 1-[3-(3-fluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate, ethyl 1-[3-(3-fluoroanilino)-3-oxopropyl]piperidine-3-carboxylate
| Molecular Formula | C17H23FN2O3 |
|---|---|
| Molecular Weight | 322.17 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.16928 |
| Heavy Atoms | 23 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 461400-18-0 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)CCC(=O)NC2=CC(=CC=C2)F |
| InChIKey | ZRVAFLOPWDFBMG-UHFFFAOYSA-N |
Product Overview
1-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester (CAS 461400-18-0), with molecular formula C17H23FN2O3 and molecular weight 322.17 g/mol. IUPAC: ethyl 1-[3-(3-fluoroanilino)-3-oxopropyl]piperidine-3-carboxylate.
Chemical Property Profile of 1-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester
Property Insights of 1-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester. With a topological polar surface area (TPSA) of 58.6 Ų, 1-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester 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-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester?
The CAS number of 1-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester is 461400-18-0.
What is the molecular formula of 1-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester?
The molecular formula of 1-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester is C17H23FN2O3.
What is the molecular weight of 1-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester?
The molecular weight of 1-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester is 322.17 g/mol.
Where can I buy 1-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester?
You can request a quote for 1-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.