1-cyclopentyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one

C18H28N2O2 — CID 82217601

IUPAC1-cyclopentyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCC(C)CC2)n1C1CCCC1
InChIInChI=1S/C18H28N2O2/c1-13-7-9-19(10-8-13)12-16-18(22)17(21)11-14(2)20(16)15-5-3-4-6-15/h11,13,15,22H,3-10,12H2,1-2H3
InChIKeyIIQNICFVCFQJNW-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.21
Rot. Bonds3

About 1-cyclopentyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one

1-cyclopentyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one (PubChem CID 82217601) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
PubChem CID82217601
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-cyclopentyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCC(C)CC2)n1C1CCCC1
InChIInChI=1S/C18H28N2O2/c1-13-7-9-19(10-8-13)12-16-18(22)17(21)11-14(2)20(16)15-5-3-4-6-15/h11,13,15,22H,3-10,12H2,1-2H3
InChIKeyIIQNICFVCFQJNW-UHFFFAOYSA-N
XLogP3.21
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82217363
3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82217153
1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94959006
1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 94958996
2-(azepan-1-ylmethyl)-3-hydroxy-6-methyl-1-propan-2-ylpyridin-4-one
CID 82217415
3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one
CID 82217564
1-cyclopropyl-3-hydroxy-6-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one
CID 82217874
1-cyclopropyl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217889
2-hydroxy-3,5,7-tris[(4-methylpiperidin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one
CID 46913724
2-[(4-cyclohexylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one
CID 71591058
1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94959200
5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218327

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one?
The IUPAC name of 1-cyclopentyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one (CID 82217601) is 1-cyclopentyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one.
What is the SMILES notation for 1-cyclopentyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one?
The canonical SMILES for 1-cyclopentyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one is Cc1cc(=O)c(O)c(CN2CCC(C)CC2)n1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one?
The InChIKey is IIQNICFVCFQJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-7-9-19(10-8-13)12-16-18(22)17(21)11-14(2)20(16)15-5-3-4-6-15/h11,13,15,22H,3-10,12H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one?
1-cyclopentyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one has a molecular weight of 304.43 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82217601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).