Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate
TL;DR: Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate (CAS 57611-47-9) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-benzyl-4-oxopiperidine-3-carboxylate
Also Known As: methyl 1-benzyl-4-oxopiperidine-3-carboxylate, 1-Benzyl-3-methoxycarbonyl-4-piperidone, zlchem 1091, Maybridge3_005376, 1-Benzyl-3-(methoxycarbonyl)-4-piperidone
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 57611-47-9 |
|---|---|
| SMILES | COC(=O)C1CN(CCC1=O)CC2=CC=CC=C2 |
| InChIKey | PHTILULPLFUXPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate (CAS 57611-47-9), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: methyl 1-benzyl-4-oxopiperidine-3-carboxylate.
Chemical Property Profile of Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate
Property Insights of Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate 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 Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate?
The CAS number of Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate is 57611-47-9.
What is the molecular formula of Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate?
The molecular formula of Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate is C14H17NO3.
What is the molecular weight of Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate?
The molecular weight of Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate is 247.12 g/mol.
Where can I buy Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate?
You can request a quote for Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.