1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide

C20H31N3O — CID 91787819

IUPAC1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide
SMILESCCC(NC(=O)C1(N2CCCCC2)CCCCC1)c1cccnc1
InChIInChI=1S/C20H31N3O/c1-2-18(17-10-9-13-21-16-17)22-19(24)20(11-5-3-6-12-20)23-14-7-4-8-15-23/h9-10,13,16,18H,2-8,11-12,14-15H2,1H3,(H,22,24)
InChIKeyWECHMNFCJXQKSK-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.84
Rot. Bonds5

About 1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide

1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide (PubChem CID 91787819) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide
PubChem CID91787819
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide
SMILESCCC(NC(=O)C1(N2CCCCC2)CCCCC1)c1cccnc1
InChIInChI=1S/C20H31N3O/c1-2-18(17-10-9-13-21-16-17)22-19(24)20(11-5-3-6-12-20)23-14-7-4-8-15-23/h9-10,13,16,18H,2-8,11-12,14-15H2,1H3,(H,22,24)
InChIKeyWECHMNFCJXQKSK-UHFFFAOYSA-N
XLogP3.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-pyridin-3-ylpentyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122556162
N-(1-pyridin-2-ylpropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122568191
N-[(1R)-1-pyridin-2-ylpropyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 125444826
N-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 131921884
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 99940755
(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
CID 92864030
1-ethyl-6-methyl-2-oxo-N-[(1S)-1-pyridin-3-ylpropyl]pyridine-3-carboxamide
CID 125441292
2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide
CID 59951658
1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 125443026
N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide
CID 125442514
methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate
CID 117241306
N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91766329

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide (CID 91787819) is 1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide is CCC(NC(=O)C1(N2CCCCC2)CCCCC1)c1cccnc1.
What is the InChIKey of 1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide?
The InChIKey is WECHMNFCJXQKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-2-18(17-10-9-13-21-16-17)22-19(24)20(11-5-3-6-12-20)23-14-7-4-8-15-23/h9-10,13,16,18H,2-8,11-12,14-15H2,1H3,(H,22,24).
What are the key properties of 1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide?
1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 91787819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).