ethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-carboxylate

C20H23N3O3 — CID 42527129

IUPACethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1Cc1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C20H23N3O3/c1-2-25-20(24)16-8-5-6-10-23(16)13-15-12-21-22-19(15)18-11-14-7-3-4-9-17(14)26-18/h3-4,7,9,11-12,16H,2,5-6,8,10,13H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyQCYWFCWVUBZXCY-INIZCTEOSA-N
MW353.42 g/mol
LogP3.74
Rot. Bonds5

About ethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-carboxylate

ethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-carboxylate (PubChem CID 42527129) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-carboxylate
PubChem CID42527129
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Nameethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1Cc1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C20H23N3O3/c1-2-25-20(24)16-8-5-6-10-23(16)13-15-12-21-22-19(15)18-11-14-7-3-4-9-17(14)26-18/h3-4,7,9,11-12,16H,2,5-6,8,10,13H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyQCYWFCWVUBZXCY-INIZCTEOSA-N
XLogP3.74
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-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

ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 764903
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine
CID 47611512
ethyl 1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2838021
ethyl (2R)-1-[(2,4-difluorophenyl)methyl]piperidine-2-carboxylate
CID 763684
ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate
CID 2838370
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate
CID 112550209
ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate
CID 6938215
ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2837990
ethyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 791469
ethyl 1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxylate
CID 47012082
ethyl (2S)-1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]piperidine-2-carboxylate
CID 51565709
ethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate
CID 115539286

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-carboxylate (CID 42527129) is ethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-carboxylate is CCOC(=O)[C@@H]1CCCCN1Cc1cn[nH]c1-c1cc2ccccc2o1.
What is the InChIKey of ethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-carboxylate?
The InChIKey is QCYWFCWVUBZXCY-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-25-20(24)16-8-5-6-10-23(16)13-15-12-21-22-19(15)18-11-14-7-3-4-9-17(14)26-18/h3-4,7,9,11-12,16H,2,5-6,8,10,13H2,1H3,(H,21,22)/t16-/m0/s1.
What are the key properties of ethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-carboxylate?
ethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-carboxylate is sourced from PubChem (CID 42527129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).