2-(1-acetylpiperidin-4-yl)-6-methyl-1H-pyridin-4-one

C13H18N2O2 — CID 73439338

IUPAC2-(1-acetylpiperidin-4-yl)-6-methyl-1H-pyridin-4-one
SMILESCC(=O)N1CCC(c2cc(=O)cc(C)[nH]2)CC1
InChIInChI=1S/C13H18N2O2/c1-9-7-12(17)8-13(14-9)11-3-5-15(6-4-11)10(2)16/h7-8,11H,3-6H2,1-2H3,(H,14,17)
InChIKeyIVWAZGSHACDPIB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.41
Rot. Bonds1

About 2-(1-acetylpiperidin-4-yl)-6-methyl-1H-pyridin-4-one

2-(1-acetylpiperidin-4-yl)-6-methyl-1H-pyridin-4-one (PubChem CID 73439338) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-6-methyl-1H-pyridin-4-one
PubChem CID73439338
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(1-acetylpiperidin-4-yl)-6-methyl-1H-pyridin-4-one
SMILESCC(=O)N1CCC(c2cc(=O)cc(C)[nH]2)CC1
InChIInChI=1S/C13H18N2O2/c1-9-7-12(17)8-13(14-9)11-3-5-15(6-4-11)10(2)16/h7-8,11H,3-6H2,1-2H3,(H,14,17)
InChIKeyIVWAZGSHACDPIB-UHFFFAOYSA-N
XLogP1.41
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-Dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)piperidine-4-carboxamide
CID 172640314
6-(1-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-dione
CID 22618093
1-Methyl-6-piperidin-4-ylpyridin-2-one
CID 55265200
1,3-Dimethyl-6-piperidin-4-ylpyrimidine-2,4-dione
CID 83856840
tert-butyl 4-(6-bromo-4-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate
CID 87823050
6-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-pyridin-2-one
CID 142187271
4-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-pyridin-6-one
CID 144950480
(Z)-4-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]-6,7-dioxooct-4-enamide
CID 145578454
4-piperidin-1-yl-6-propan-2-yl-1H-pyridin-2-one
CID 153623277
N-(1,4-dimethylpiperidin-4-yl)-6-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 155455788
tert-butyl 4-(4-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate
CID 156900056
1-Methyl-6-piperidin-4-ylpyridin-2-one;hydrochloride
CID 157765889

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-6-methyl-1H-pyridin-4-one (CID 73439338) is 2-(1-acetylpiperidin-4-yl)-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-6-methyl-1H-pyridin-4-one is CC(=O)N1CCC(c2cc(=O)cc(C)[nH]2)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-6-methyl-1H-pyridin-4-one?
The InChIKey is IVWAZGSHACDPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-7-12(17)8-13(14-9)11-3-5-15(6-4-11)10(2)16/h7-8,11H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 2-(1-acetylpiperidin-4-yl)-6-methyl-1H-pyridin-4-one?
2-(1-acetylpiperidin-4-yl)-6-methyl-1H-pyridin-4-one has a molecular weight of 234.30 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 73439338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).