1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one

C28H35N3O3 — CID 42458784

IUPAC1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one
SMILESO=C(c1cn(C2CCCCC2)cc(C(=O)N2CCC(c3ccccc3)CC2)c1=O)N1CCCC1
InChIInChI=1S/C28H35N3O3/c32-26-24(27(33)29-15-7-8-16-29)19-31(23-11-5-2-6-12-23)20-25(26)28(34)30-17-13-22(14-18-30)21-9-3-1-4-10-21/h1,3-4,9-10,19-20,22-23H,2,5-8,11-18H2
InChIKeyKQQILWKLKGNJPT-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.61
Rot. Bonds4

About 1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one

1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one (PubChem CID 42458784) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one
PubChem CID42458784
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC Name1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one
SMILESO=C(c1cn(C2CCCCC2)cc(C(=O)N2CCC(c3ccccc3)CC2)c1=O)N1CCCC1
InChIInChI=1S/C28H35N3O3/c32-26-24(27(33)29-15-7-8-16-29)19-31(23-11-5-2-6-12-23)20-25(26)28(34)30-17-13-22(14-18-30)21-9-3-1-4-10-21/h1,3-4,9-10,19-20,22-23H,2,5-8,11-18H2
InChIKeyKQQILWKLKGNJPT-UHFFFAOYSA-N
XLogP4.61
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 42499907
3-(4-methylpiperidine-1-carbonyl)-5-(4-phenylazepane-1-carbonyl)-1-propan-2-ylpyridin-4-one
CID 45197914
1-cyclohexyl-4-oxo-N-[(R)-phenyl(pyridin-4-yl)methyl]-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 26277522
N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 26323256
(2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 24660786
6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one
CID 154863854
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 26348462
methyl (2S,3S)-2-[[1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carbonyl]amino]-3-methylpentanoate
CID 28785994
6-methyl-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 86768751
N-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide
CID 26345811
1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 42471917
1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 26322269

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one?
The IUPAC name of 1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one (CID 42458784) is 1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one.
What is the SMILES notation for 1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one?
The canonical SMILES for 1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one is O=C(c1cn(C2CCCCC2)cc(C(=O)N2CCC(c3ccccc3)CC2)c1=O)N1CCCC1.
What is the InChIKey of 1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one?
The InChIKey is KQQILWKLKGNJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3/c32-26-24(27(33)29-15-7-8-16-29)19-31(23-11-5-2-6-12-23)20-25(26)28(34)30-17-13-22(14-18-30)21-9-3-1-4-10-21/h1,3-4,9-10,19-20,22-23H,2,5-8,11-18H2.
What are the key properties of 1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one?
1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one has a molecular weight of 461.61 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one is sourced from PubChem (CID 42458784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).