(3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

C26H33N3O2 — CID 92570850

IUPAC(3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)CCC2CCCC2)C1
InChIInChI=1S/C26H33N3O2/c27-25(31)26(17-21-8-11-22(12-9-21)23-7-3-15-28-18-23)14-4-16-29(19-26)24(30)13-10-20-5-1-2-6-20/h3,7-9,11-12,15,18,20H,1-2,4-6,10,13-14,16-17,19H2,(H2,27,31)/t26-/m0/s1
InChIKeyCHXYXFWISSJTTC-SANMLTNESA-N
MW419.57 g/mol
LogP4.36
Rot. Bonds7

About (3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

(3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92570850) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is (3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92570850
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name(3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)CCC2CCCC2)C1
InChIInChI=1S/C26H33N3O2/c27-25(31)26(17-21-8-11-22(12-9-21)23-7-3-15-28-18-23)14-4-16-29(19-26)24(30)13-10-20-5-1-2-6-20/h3,7-9,11-12,15,18,20H,1-2,4-6,10,13-14,16-17,19H2,(H2,27,31)/t26-/m0/s1
InChIKeyCHXYXFWISSJTTC-SANMLTNESA-N
XLogP4.36
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide 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

(3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92569632
1-(2-cyclopentylacetyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231361
(3R)-N-methyl-1-(3-phenylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609385
(3S)-1-(cyclohexanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591906
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide
CID 92573903
1-(2-cyclopentylacetyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083957
(3R)-N-methyl-1-(2-phenoxyacetyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609411
1-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232222
(3R)-1-butanoyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92586217
(3S)-N-cyclopropyl-1-(3,3-dimethylbutanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92552127
N-cyclopropyl-1-(3,3-dimethylbutanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231447
(3R)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92569670

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (CID 92570850) is (3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)CCC2CCCC2)C1.
What is the InChIKey of (3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is CHXYXFWISSJTTC-SANMLTNESA-N. The full InChI is InChI=1S/C26H33N3O2/c27-25(31)26(17-21-8-11-22(12-9-21)23-7-3-15-28-18-23)14-4-16-29(19-26)24(30)13-10-20-5-1-2-6-20/h3,7-9,11-12,15,18,20H,1-2,4-6,10,13-14,16-17,19H2,(H2,27,31)/t26-/m0/s1.
What are the key properties of (3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
(3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92570850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).