(3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

C25H31N3O2 — CID 92569632

IUPAC(3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C25H31N3O2/c26-24(30)25(12-6-14-28(18-25)23(29)20-8-2-1-3-9-20)16-19-7-4-10-21(15-19)22-11-5-13-27-17-22/h4-5,7,10-11,13,15,17,20H,1-3,6,8-9,12,14,16,18H2,(H2,26,30)/t25-/m1/s1
InChIKeyGONCQXKKQLUGAZ-RUZDIDTESA-N
MW405.54 g/mol
LogP3.97
Rot. Bonds5

About (3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92569632) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is (3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92569632
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name(3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C25H31N3O2/c26-24(30)25(12-6-14-28(18-25)23(29)20-8-2-1-3-9-20)16-19-7-4-10-21(15-19)22-11-5-13-27-17-22/h4-5,7,10-11,13,15,17,20H,1-3,6,8-9,12,14,16,18H2,(H2,26,30)/t25-/m1/s1
InChIKeyGONCQXKKQLUGAZ-RUZDIDTESA-N
XLogP3.97
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232207
1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide
CID 110232836
1-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232222
(3R)-1-(cyclobutanecarbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92569662
1-(2-cyclopentylacetyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083957
(3S)-1-(cyclohexanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591906
(3R)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide
CID 92569616
(3S)-1-(3-cyclopentylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92570850
N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232194
(3S)-1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579563
(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 (3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (CID 92569632) is (3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)C2CCCCC2)C1.
What is the InChIKey of (3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is GONCQXKKQLUGAZ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H31N3O2/c26-24(30)25(12-6-14-28(18-25)23(29)20-8-2-1-3-9-20)16-19-7-4-10-21(15-19)22-11-5-13-27-17-22/h4-5,7,10-11,13,15,17,20H,1-3,6,8-9,12,14,16,18H2,(H2,26,30)/t25-/m1/s1.
What are the key properties of (3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92569632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).