5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one

C13H18N2O3 — CID 103878843

IUPAC5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCCC(C)(O)C2)c[nH]1
InChIInChI=1S/C13H18N2O3/c1-9-6-11(16)10(7-14-9)12(17)15-5-3-4-13(2,18)8-15/h6-7,18H,3-5,8H2,1-2H3,(H,14,16)
InChIKeyWJNLPRSIMHWCMT-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.67
Rot. Bonds1

About 5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one

5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one (PubChem CID 103878843) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
PubChem CID103878843
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCCC(C)(O)C2)c[nH]1
InChIInChI=1S/C13H18N2O3/c1-9-6-11(16)10(7-14-9)12(17)15-5-3-4-13(2,18)8-15/h6-7,18H,3-5,8H2,1-2H3,(H,14,16)
InChIKeyWJNLPRSIMHWCMT-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

Analyze 5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-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

5-(2,2-dimethylthiomorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103739963
1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
CID 102847836
(2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344075
5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one
CID 119058484
(4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344059
2-methyl-5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyridin-4-one
CID 114172667
3,3-dimethyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-2-one
CID 103717953
2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 103717962
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115875217
(3,4-dihydroxyphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 103958250
5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103717991
methyl (3S)-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 103717921

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one (CID 103878843) is 5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCCC(C)(O)C2)c[nH]1.
What is the InChIKey of 5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one?
The InChIKey is WJNLPRSIMHWCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-6-11(16)10(7-14-9)12(17)15-5-3-4-13(2,18)8-15/h6-7,18H,3-5,8H2,1-2H3,(H,14,16).
What are the key properties of 5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one?
5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-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 5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 103878843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).