3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one

C13H18N2O3 — CID 115696691

IUPAC3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCC(C)(O)CC2)c(=O)[nH]1
InChIInChI=1S/C13H18N2O3/c1-9-3-4-10(11(16)14-9)12(17)15-7-5-13(2,18)6-8-15/h3-4,18H,5-8H2,1-2H3,(H,14,16)
InChIKeyKWCFVJSIHCVVDI-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.67
Rot. Bonds1

About 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one

3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one (PubChem CID 115696691) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one
PubChem CID115696691
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCC(C)(O)CC2)c(=O)[nH]1
InChIInChI=1S/C13H18N2O3/c1-9-3-4-10(11(16)14-9)12(17)15-7-5-13(2,18)6-8-15/h3-4,18H,5-8H2,1-2H3,(H,14,16)
InChIKeyKWCFVJSIHCVVDI-UHFFFAOYSA-N
XLogP0.67
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55867890
3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 86768773
3-ethyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 104772680
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95976185
4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
CID 113230147
methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
CID 115584285
6-methyl-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 86768751
3-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 103816592
2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102657522
(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 82828823
(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 70215265
3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid
CID 115923902

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one (CID 115696691) is 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCC(C)(O)CC2)c(=O)[nH]1.
What is the InChIKey of 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is KWCFVJSIHCVVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-3-4-10(11(16)14-9)12(17)15-7-5-13(2,18)6-8-15/h3-4,18H,5-8H2,1-2H3,(H,14,16).
What are the key properties of 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one?
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 115696691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).