ethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate

C27H31N3O3 — CID 25293176

IUPACethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2ccccc2-n2cccn2)CC1
InChIInChI=1S/C27H31N3O3/c1-2-33-26(32)27(15-8-12-22-10-4-3-5-11-22)16-20-29(21-17-27)25(31)23-13-6-7-14-24(23)30-19-9-18-28-30/h3-7,9-11,13-14,18-19H,2,8,12,15-17,20-21H2,1H3
InChIKeyHLRTZLVHOOBETQ-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.68
Rot. Bonds8

About ethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate

ethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate (PubChem CID 25293176) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is ethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate
PubChem CID25293176
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Nameethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2ccccc2-n2cccn2)CC1
InChIInChI=1S/C27H31N3O3/c1-2-33-26(32)27(15-8-12-22-10-4-3-5-11-22)16-20-29(21-17-27)25(31)23-13-6-7-14-24(23)30-19-9-18-28-30/h3-7,9-11,13-14,18-19H,2,8,12,15-17,20-21H2,1H3
InChIKeyHLRTZLVHOOBETQ-UHFFFAOYSA-N
XLogP4.68
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)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

Ethyl 1,3-diphenyl-1H-pyrazole-4-carboxylate
CID 882876
1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbonyl]piperidine
CID 882738
4-{[3-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}morpholine
CID 1288955
ethyl 1-[5-fluoro-2-(1H-pyrazol-1-yl)benzyl]-4-(tetrahydro-2H-pyran-2-ylmethyl)piperidine-4-carboxylate
CID 16189200
ethyl 3-(2-methylbenzyl)-1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinecarboxylate
CID 16190792
[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71566116
[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone
CID 71566120
[5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone
CID 71566192
[4-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone
CID 71566194
US10617680, Example 226
CID 135355476
(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)(morpholino)methanone
CID 1340783
Ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 24979539

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate (CID 25293176) is ethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate is CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2ccccc2-n2cccn2)CC1.
What is the InChIKey of ethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate?
The InChIKey is HLRTZLVHOOBETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-2-33-26(32)27(15-8-12-22-10-4-3-5-11-22)16-20-29(21-17-27)25(31)23-13-6-7-14-24(23)30-19-9-18-28-30/h3-7,9-11,13-14,18-19H,2,8,12,15-17,20-21H2,1H3.
What are the key properties of ethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate?
ethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate has a molecular weight of 445.56 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 25293176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).