ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate

C20H23NO3S — CID 91950433

IUPACethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccccc2Cc2cccs2)CC1
InChIInChI=1S/C20H23NO3S/c1-2-24-20(23)15-9-11-21(12-10-15)19(22)18-8-4-3-6-16(18)14-17-7-5-13-25-17/h3-8,13,15H,2,9-12,14H2,1H3
InChIKeyQCFAFIIDNZHCDS-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.75
Rot. Bonds5

About ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate

ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate (PubChem CID 91950433) has the molecular formula C20H23NO3S and a molecular weight of 357.47 g/mol. Its IUPAC name is ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate
PubChem CID91950433
Molecular FormulaC20H23NO3S
Molecular Weight357.47 g/mol
Exact Mass357.14
IUPAC Nameethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccccc2Cc2cccs2)CC1
InChIInChI=1S/C20H23NO3S/c1-2-24-20(23)15-9-11-21(12-10-15)19(22)18-8-4-3-6-16(18)14-17-7-5-13-25-17/h3-8,13,15H,2,9-12,14H2,1H3
InChIKeyQCFAFIIDNZHCDS-UHFFFAOYSA-N
XLogP3.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethylsulfonylpiperazin-1-yl)-[2-(thiophen-2-ylmethyl)phenyl]methanone
CID 91950391
ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
CID 47125519
ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 27555052
ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate
CID 168527063
ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate
CID 115540184
1-[2-(methoxymethyl)benzoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600032
ethyl 1-(2-amino-3-fluorobenzoyl)piperidine-4-carboxylate
CID 80503441
ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate
CID 2813431
ethyl 1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 35512800
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
ethyl 1-[2-[(1-amino-2-chloroethylidene)amino]benzoyl]piperidine-4-carboxylate
CID 169367907
ethyl 1-(4-thiophen-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylate
CID 100752330

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate (CID 91950433) is ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccccc2Cc2cccs2)CC1.
What is the InChIKey of ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate?
The InChIKey is QCFAFIIDNZHCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-2-24-20(23)15-9-11-21(12-10-15)19(22)18-8-4-3-6-16(18)14-17-7-5-13-25-17/h3-8,13,15H,2,9-12,14H2,1H3.
What are the key properties of ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate?
ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate has a molecular weight of 357.47 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 91950433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).