1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

C26H33N3O2 — CID 110232207

IUPAC1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C26H33N3O2/c1-2-28-25(31)26(13-7-15-29(19-26)24(30)21-9-3-4-10-21)17-20-8-5-11-22(16-20)23-12-6-14-27-18-23/h5-6,8,11-12,14,16,18,21H,2-4,7,9-10,13,15,17,19H2,1H3,(H,28,31)
InChIKeyOSLGBYYPRCJPIQ-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.23
Rot. Bonds6

About 1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110232207) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID110232207
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C26H33N3O2/c1-2-28-25(31)26(13-7-15-29(19-26)24(30)21-9-3-4-10-21)17-20-8-5-11-22(16-20)23-12-6-14-27-18-23/h5-6,8,11-12,14,16,18,21H,2-4,7,9-10,13,15,17,19H2,1H3,(H,28,31)
InChIKeyOSLGBYYPRCJPIQ-UHFFFAOYSA-N
XLogP4.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-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

(3S)-1-(cyclohexanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591906
(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591832
(3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92569632
(3S)-1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592235
(3S)-N-ethyl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592146
(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591895
(3R)-N-ethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592232
1-(cyclohexanecarbonyl)-N-ethyl-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805756
(3S)-N-ethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591856
1-(2-cyclopentylacetyl)-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232124
N-ethyl-1-(oxolane-2-carbonyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083941
(3R)-1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579562

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (CID 110232207) is 1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)C2CCCC2)C1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is OSLGBYYPRCJPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-2-28-25(31)26(13-7-15-29(19-26)24(30)21-9-3-4-10-21)17-20-8-5-11-22(16-20)23-12-6-14-27-18-23/h5-6,8,11-12,14,16,18,21H,2-4,7,9-10,13,15,17,19H2,1H3,(H,28,31).
What are the key properties of 1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110232207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).