1-(2,4,6-trimethylphenyl)piperidine-2,3-dione

C14H17NO2 — CID 117013765

IUPAC1-(2,4,6-trimethylphenyl)piperidine-2,3-dione
SMILESCc1cc(C)c(N2CCCC(=O)C2=O)c(C)c1
InChIInChI=1S/C14H17NO2/c1-9-7-10(2)13(11(3)8-9)15-6-4-5-12(16)14(15)17/h7-8H,4-6H2,1-3H3
InChIKeyKDQFKCCIRXFECA-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.31
Rot. Bonds1

About 1-(2,4,6-trimethylphenyl)piperidine-2,3-dione

1-(2,4,6-trimethylphenyl)piperidine-2,3-dione (PubChem CID 117013765) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)piperidine-2,3-dione.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)piperidine-2,3-dione
PubChem CID117013765
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(2,4,6-trimethylphenyl)piperidine-2,3-dione
SMILESCc1cc(C)c(N2CCCC(=O)C2=O)c(C)c1
InChIInChI=1S/C14H17NO2/c1-9-7-10(2)13(11(3)8-9)15-6-4-5-12(16)14(15)17/h7-8H,4-6H2,1-3H3
InChIKeyKDQFKCCIRXFECA-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine
CID 91803757
1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 847897
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one
CID 101485045
1-(2-chloro-6-methylphenyl)pyrrolidine-2,3-dione
CID 66251974
1-(2,4-dimethoxyphenyl)piperidine-2,3-dione
CID 117013794
1-(2-amino-6-bromo-4-methylphenyl)pyrrolidin-2-one
CID 165475746
1-(2-chloro-4,6-dimethylphenyl)-1,4-diazocan-2-one
CID 117016188
1-[(3S)-3-methyl-2-methylidene-1-(2,4,6-trimethylphenyl)piperidin-3-yl]ethanone
CID 101401829
1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one
CID 117014121
3-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]pentan-3-ol
CID 23527162
2-(1,2,2,2-tetrafluoroethylidene)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 132850287
cycloheptane-1,2-dione;5-methylbenzene-1,3-dicarboxylic acid
CID 174411141

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)piperidine-2,3-dione?
The IUPAC name of 1-(2,4,6-trimethylphenyl)piperidine-2,3-dione (CID 117013765) is 1-(2,4,6-trimethylphenyl)piperidine-2,3-dione.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)piperidine-2,3-dione?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)piperidine-2,3-dione is Cc1cc(C)c(N2CCCC(=O)C2=O)c(C)c1.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)piperidine-2,3-dione?
The InChIKey is KDQFKCCIRXFECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-7-10(2)13(11(3)8-9)15-6-4-5-12(16)14(15)17/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(2,4,6-trimethylphenyl)piperidine-2,3-dione?
1-(2,4,6-trimethylphenyl)piperidine-2,3-dione has a molecular weight of 231.29 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)piperidine-2,3-dione is sourced from PubChem (CID 117013765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).