3-acetyl-6-methyl-1-piperidin-4-ylpyridin-2-one

C13H18N2O2 — CID 82144520

IUPAC3-acetyl-6-methyl-1-piperidin-4-ylpyridin-2-one
SMILESCC(=O)c1ccc(C)n(C2CCNCC2)c1=O
InChIInChI=1S/C13H18N2O2/c1-9-3-4-12(10(2)16)13(17)15(9)11-5-7-14-8-6-11/h3-4,11,14H,5-8H2,1-2H3
InChIKeyQBDOBMBDJUIHRY-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.28
Rot. Bonds2

About 3-acetyl-6-methyl-1-piperidin-4-ylpyridin-2-one

3-acetyl-6-methyl-1-piperidin-4-ylpyridin-2-one (PubChem CID 82144520) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-acetyl-6-methyl-1-piperidin-4-ylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-6-methyl-1-piperidin-4-ylpyridin-2-one
PubChem CID82144520
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-acetyl-6-methyl-1-piperidin-4-ylpyridin-2-one
SMILESCC(=O)c1ccc(C)n(C2CCNCC2)c1=O
InChIInChI=1S/C13H18N2O2/c1-9-3-4-12(10(2)16)13(17)15(9)11-5-7-14-8-6-11/h3-4,11,14H,5-8H2,1-2H3
InChIKeyQBDOBMBDJUIHRY-UHFFFAOYSA-N
XLogP1.28
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-1-cyclopropyl-6-methylpyridin-2-one
CID 82525165
6-methyl-1-piperidin-4-ylpyridin-2-one
CID 82105178
1-cyclopropyl-6-methyl-2-oxopyridine-3-carboximidamide
CID 82525216
3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one
CID 82519443
1-cyclohexyl-6-methyl-2-oxopyridine-3-carboximidamide
CID 82524843
5-acetyl-3-cyclopentyl-1H-pyrimidine-2,4-dione
CID 80642763
2-(1-cyclopentyl-6-methyl-2-oxo-3-pyridinyl)acetyl chloride
CID 82524860
5-acetyl-3-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,4-dione
CID 80643767
3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one
CID 82188971
7-piperidin-4-yl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone
CID 6096796
1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 82520836
3-(aminomethyl)-1-cyclobutyl-6-methylpyridin-2-one
CID 105446451

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-methyl-1-piperidin-4-ylpyridin-2-one?
The IUPAC name of 3-acetyl-6-methyl-1-piperidin-4-ylpyridin-2-one (CID 82144520) is 3-acetyl-6-methyl-1-piperidin-4-ylpyridin-2-one.
What is the SMILES notation for 3-acetyl-6-methyl-1-piperidin-4-ylpyridin-2-one?
The canonical SMILES for 3-acetyl-6-methyl-1-piperidin-4-ylpyridin-2-one is CC(=O)c1ccc(C)n(C2CCNCC2)c1=O.
What is the InChIKey of 3-acetyl-6-methyl-1-piperidin-4-ylpyridin-2-one?
The InChIKey is QBDOBMBDJUIHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-3-4-12(10(2)16)13(17)15(9)11-5-7-14-8-6-11/h3-4,11,14H,5-8H2,1-2H3.
What are the key properties of 3-acetyl-6-methyl-1-piperidin-4-ylpyridin-2-one?
3-acetyl-6-methyl-1-piperidin-4-ylpyridin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-methyl-1-piperidin-4-ylpyridin-2-one is sourced from PubChem (CID 82144520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).