1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one

C24H30N2O4 — CID 172657464

IUPAC1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one
SMILESCc1ccccc1C1(O)CCN(C(=O)c2c(C)ccn(C3CCC(O)CC3)c2=O)C1
InChIInChI=1S/C24H30N2O4/c1-16-5-3-4-6-20(16)24(30)12-14-25(15-24)22(28)21-17(2)11-13-26(23(21)29)18-7-9-19(27)10-8-18/h3-6,11,13,18-19,27,30H,7-10,12,14-15H2,1-2H3
InChIKeyOUKSRHYYAXUQMR-UHFFFAOYSA-N
MW410.51 g/mol
LogP2.67
Rot. Bonds3

About 1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one

1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one (PubChem CID 172657464) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one
PubChem CID172657464
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one
SMILESCc1ccccc1C1(O)CCN(C(=O)c2c(C)ccn(C3CCC(O)CC3)c2=O)C1
InChIInChI=1S/C24H30N2O4/c1-16-5-3-4-6-20(16)24(30)12-14-25(15-24)22(28)21-17(2)11-13-26(23(21)29)18-7-9-19(27)10-8-18/h3-6,11,13,18-19,27,30H,7-10,12,14-15H2,1-2H3
InChIKeyOUKSRHYYAXUQMR-UHFFFAOYSA-N
XLogP2.67
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one
CID 172656509
1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one
CID 172661366
1-cyclopropyl-4-methyl-3-(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-carbonyl)pyridin-2-one
CID 172660310
1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one
CID 172670130
1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one
CID 172659827
(6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one
CID 172660694
1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 72881128
1-[4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 95136716
1-cyclopropyl-3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-4-methylpyridin-2-one
CID 172667070
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 56890894
1-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone
CID 95127261
2-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 56753711

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one (CID 172657464) is 1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one is Cc1ccccc1C1(O)CCN(C(=O)c2c(C)ccn(C3CCC(O)CC3)c2=O)C1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one?
The InChIKey is OUKSRHYYAXUQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-16-5-3-4-6-20(16)24(30)12-14-25(15-24)22(28)21-17(2)11-13-26(23(21)29)18-7-9-19(27)10-8-18/h3-6,11,13,18-19,27,30H,7-10,12,14-15H2,1-2H3.
What are the key properties of 1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one?
1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one has a molecular weight of 410.51 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one is sourced from PubChem (CID 172657464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).