3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one

C13H16N2O2 — CID 114499935

IUPAC3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one
SMILESCc1cccnc1C(=O)N1CCC(=O)C(C)C1
InChIInChI=1S/C13H16N2O2/c1-9-4-3-6-14-12(9)13(17)15-7-5-11(16)10(2)8-15/h3-4,6,10H,5,7-8H2,1-2H3
InChIKeyJCMGYCGRMNLZAM-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.44
Rot. Bonds1

About 3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one

3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one (PubChem CID 114499935) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one
PubChem CID114499935
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one
SMILESCc1cccnc1C(=O)N1CCC(=O)C(C)C1
InChIInChI=1S/C13H16N2O2/c1-9-4-3-6-14-12(9)13(17)15-7-5-11(16)10(2)8-15/h3-4,6,10H,5,7-8H2,1-2H3
InChIKeyJCMGYCGRMNLZAM-UHFFFAOYSA-N
XLogP1.44
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 66291772
(3-hydroxyazetidin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 63106422
3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
CID 114499676
(3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119482706
5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 122117858
(3-methyl-2-pyridinyl)-[(2R)-2-pyridin-2-ylmorpholin-4-yl]methanone
CID 125022820
(4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 110098379
1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one
CID 114499914
3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one
CID 114499805
4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile
CID 79674607
3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 102979094
1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one
CID 114499849

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one?
The IUPAC name of 3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one (CID 114499935) is 3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one.
What is the SMILES notation for 3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one?
The canonical SMILES for 3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one is Cc1cccnc1C(=O)N1CCC(=O)C(C)C1.
What is the InChIKey of 3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one?
The InChIKey is JCMGYCGRMNLZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-4-3-6-14-12(9)13(17)15-7-5-11(16)10(2)8-15/h3-4,6,10H,5,7-8H2,1-2H3.
What are the key properties of 3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one?
3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one has a molecular weight of 232.28 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one is sourced from PubChem (CID 114499935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).