1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one

C24H29N3O4 — CID 172670130

IUPAC1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one
SMILESCc1ccn(C2CCC(O)CC2)c(=O)c1C(=O)N1CCCC(C(=O)c2ccccn2)C1
InChIInChI=1S/C24H29N3O4/c1-16-11-14-27(18-7-9-19(28)10-8-18)24(31)21(16)23(30)26-13-4-5-17(15-26)22(29)20-6-2-3-12-25-20/h2-3,6,11-12,14,17-19,28H,4-5,7-10,13,15H2,1H3
InChIKeyOWPQYJIFWCCHAM-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.76
Rot. Bonds4

About 1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one

1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one (PubChem CID 172670130) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one
PubChem CID172670130
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one
SMILESCc1ccn(C2CCC(O)CC2)c(=O)c1C(=O)N1CCCC(C(=O)c2ccccn2)C1
InChIInChI=1S/C24H29N3O4/c1-16-11-14-27(18-7-9-19(28)10-8-18)24(31)21(16)23(30)26-13-4-5-17(15-26)22(29)20-6-2-3-12-25-20/h2-3,6,11-12,14,17-19,28H,4-5,7-10,13,15H2,1H3
InChIKeyOWPQYJIFWCCHAM-UHFFFAOYSA-N
XLogP2.76
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one 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

3-[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one
CID 172658504
1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one
CID 172659827
3-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one
CID 172666091
2-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 45239576
1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one
CID 172661366
(6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one
CID 172660694
7-methyl-2-[(3S)-3-(pyridine-2-carbonyl)piperidine-1-carbonyl]chromen-4-one
CID 124751539
3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 77088791
2-(3-methyl-1,2-oxazol-5-yl)-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone
CID 124753059
1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one
CID 172656509
[(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 97121545
(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide
CID 125157620

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one (CID 172670130) is 1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one is Cc1ccn(C2CCC(O)CC2)c(=O)c1C(=O)N1CCCC(C(=O)c2ccccn2)C1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is OWPQYJIFWCCHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-16-11-14-27(18-7-9-19(28)10-8-18)24(31)21(16)23(30)26-13-4-5-17(15-26)22(29)20-6-2-3-12-25-20/h2-3,6,11-12,14,17-19,28H,4-5,7-10,13,15H2,1H3.
What are the key properties of 1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one?
1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 423.51 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 172670130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).