3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester
TL;DR: 3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester (CAS 56547-83-2) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-1-(2-phenylethyl)piperidine-3-carboxylate
Also Known As: ethyl 4-oxo-1-(2-phenylethyl)piperidine-3-carboxylate, 3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester, ethyl 4-oxo-1-phenethylpiperidine-3-carboxylate, Ethyl 4-oxo-1-(2-phenylethyl)-3-piperidinecarboxylate, 4-Oxo-1-(2-phenylethyl)-3-piperidinecarboxylic acid ethyl ester
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 56547-83-2 |
|---|---|
| SMILES | CCOC(=O)C1CN(CCC1=O)CCC2=CC=CC=C2 |
| InChIKey | BHRQUXYWDFJWFB-UHFFFAOYSA-N |
Product Overview
3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester (CAS 56547-83-2), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: ethyl 4-oxo-1-(2-phenylethyl)piperidine-3-carboxylate.
Chemical Property Profile of 3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester
Property Insights of 3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester. With a topological polar surface area (TPSA) of 46.6 Ų, 3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester has 0 hydrogen bond donor(s) and 4 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 3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester?
The CAS number of 3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester is 56547-83-2.
What is the molecular formula of 3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester?
The molecular formula of 3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester is C16H21NO3.
What is the molecular weight of 3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester?
The molecular weight of 3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester is 275.15 g/mol.
Where can I buy 3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester?
You can request a quote for 3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.