1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one

C14H17NO — CID 176944263

IUPAC1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one
SMILESC=C1C(c2ccc(C)cc2)CCC(=O)N1C
InChIInChI=1S/C14H17NO/c1-10-4-6-12(7-5-10)13-8-9-14(16)15(3)11(13)2/h4-7,13H,2,8-9H2,1,3H3
InChIKeyKMVQFKUEKUEASP-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.84
Rot. Bonds1

About 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one

1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one (PubChem CID 176944263) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one
PubChem CID176944263
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one
SMILESC=C1C(c2ccc(C)cc2)CCC(=O)N1C
InChIInChI=1S/C14H17NO/c1-10-4-6-12(7-5-10)13-8-9-14(16)15(3)11(13)2/h4-7,13H,2,8-9H2,1,3H3
InChIKeyKMVQFKUEKUEASP-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-(2-methylidenecyclopentyl)benzene
CID 166116595
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
(2R)-2-(4-methylphenyl)cyclohexan-1-one
CID 11030573
6-methyl-4-(4-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 12705983
5-methylidene-4-(4-methylphenyl)oxolan-2-one
CID 14416057
1-methyl-4-(4-methylphenyl)pyrrolidin-2-one
CID 71364641
3-(2,3-dimethyl-1-benzofuran-6-yl)-1-methylpiperidine-2,6-dione
CID 23468838
(2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide
CID 95738404
(4S)-1-(4,6-dimethylpyrimidin-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 92720883
(2R,5R)-2,5-bis(4-methylphenyl)phospholan-1-ium 1-oxide
CID 134577154
3-(N,3-dimethylanilino)-1-methylpiperidine-2,6-dione
CID 170361648
(5R,6S)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738417

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one?
The IUPAC name of 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one (CID 176944263) is 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one.
What is the SMILES notation for 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one?
The canonical SMILES for 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one is C=C1C(c2ccc(C)cc2)CCC(=O)N1C.
What is the InChIKey of 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one?
The InChIKey is KMVQFKUEKUEASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-4-6-12(7-5-10)13-8-9-14(16)15(3)11(13)2/h4-7,13H,2,8-9H2,1,3H3.
What are the key properties of 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one?
1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one has a molecular weight of 215.30 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one is sourced from PubChem (CID 176944263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).