1-(2-cyclopentylacetyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

C25H31N3O2 — CID 110083957

IUPAC1-(2-cyclopentylacetyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C25H31N3O2/c26-24(30)25(10-13-28(14-11-25)23(29)16-19-5-1-2-6-19)17-20-7-3-8-21(15-20)22-9-4-12-27-18-22/h3-4,7-9,12,15,18-19H,1-2,5-6,10-11,13-14,16-17H2,(H2,26,30)
InChIKeyDQEJKZOWUURORX-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.97
Rot. Bonds6

About 1-(2-cyclopentylacetyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

1-(2-cyclopentylacetyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110083957) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-(2-cyclopentylacetyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopentylacetyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID110083957
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name1-(2-cyclopentylacetyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C25H31N3O2/c26-24(30)25(10-13-28(14-11-25)23(29)16-19-5-1-2-6-19)17-20-7-3-8-21(15-20)22-9-4-12-27-18-22/h3-4,7-9,12,15,18-19H,1-2,5-6,10-11,13-14,16-17H2,(H2,26,30)
InChIKeyDQEJKZOWUURORX-UHFFFAOYSA-N
XLogP3.97
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentanecarbonyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083956
1-[2-(3-methylphenyl)acetyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805777
(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
1-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232222
N-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083907
(3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92570850
formamide;1-[(3-pyridin-3-ylphenyl)methyl]cyclohexan-1-amine
CID 144756966
1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229548
1-(2-cyclopentylacetyl)-N-ethyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620728
1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805774
N-ethyl-1-(oxolane-2-carbonyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083941

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylacetyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyclopentylacetyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (CID 110083957) is 1-(2-cyclopentylacetyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyclopentylacetyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyclopentylacetyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is NC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)CC2CCCC2)CC1.
What is the InChIKey of 1-(2-cyclopentylacetyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is DQEJKZOWUURORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c26-24(30)25(10-13-28(14-11-25)23(29)16-19-5-1-2-6-19)17-20-7-3-8-21(15-20)22-9-4-12-27-18-22/h3-4,7-9,12,15,18-19H,1-2,5-6,10-11,13-14,16-17H2,(H2,26,30).
What are the key properties of 1-(2-cyclopentylacetyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
1-(2-cyclopentylacetyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylacetyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110083957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).