1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one

C15H19NO2 — CID 114499914

IUPAC1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one
SMILESCc1ccc(C)c(C(=O)N2CCC(=O)C(C)C2)c1
InChIInChI=1S/C15H19NO2/c1-10-4-5-11(2)13(8-10)15(18)16-7-6-14(17)12(3)9-16/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyRYPHABSVDUAATM-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.35
Rot. Bonds1

About 1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one

1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one (PubChem CID 114499914) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one
PubChem CID114499914
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one
SMILESCc1ccc(C)c(C(=O)N2CCC(=O)C(C)C2)c1
InChIInChI=1S/C15H19NO2/c1-10-4-5-11(2)13(8-10)15(18)16-7-6-14(17)12(3)9-16/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyRYPHABSVDUAATM-UHFFFAOYSA-N
XLogP2.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291160
1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one
CID 114499849
(4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
CID 114683079
(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370766
(2,5-dimethylphenyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 166697905
(2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 142424231
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 114960355
3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 114499783
4-(2,5-dimethylbenzoyl)piperazin-2-one
CID 31096061
(3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one
CID 129395818
1-(2,5-dimethylbenzoyl)piperidine-4-carbonitrile
CID 49064705
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one?
The IUPAC name of 1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one (CID 114499914) is 1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one.
What is the SMILES notation for 1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one?
The canonical SMILES for 1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one is Cc1ccc(C)c(C(=O)N2CCC(=O)C(C)C2)c1.
What is the InChIKey of 1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one?
The InChIKey is RYPHABSVDUAATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-4-5-11(2)13(8-10)15(18)16-7-6-14(17)12(3)9-16/h4-5,8,12H,6-7,9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one?
1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one has a molecular weight of 245.32 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one is sourced from PubChem (CID 114499914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).