6-(3,5-dimethylphenyl)piperidine-2,4-dione

C13H15NO2 — CID 83821744

IUPAC6-(3,5-dimethylphenyl)piperidine-2,4-dione
SMILESCc1cc(C)cc(C2CC(=O)CC(=O)N2)c1
InChIInChI=1S/C13H15NO2/c1-8-3-9(2)5-10(4-8)12-6-11(15)7-13(16)14-12/h3-5,12H,6-7H2,1-2H3,(H,14,16)
InChIKeyLREFEQJIELAZBB-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.82
Rot. Bonds1

About 6-(3,5-dimethylphenyl)piperidine-2,4-dione

6-(3,5-dimethylphenyl)piperidine-2,4-dione (PubChem CID 83821744) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)piperidine-2,4-dione.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)piperidine-2,4-dione
PubChem CID83821744
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name6-(3,5-dimethylphenyl)piperidine-2,4-dione
SMILESCc1cc(C)cc(C2CC(=O)CC(=O)N2)c1
InChIInChI=1S/C13H15NO2/c1-8-3-9(2)5-10(4-8)12-6-11(15)7-13(16)14-12/h3-5,12H,6-7H2,1-2H3,(H,14,16)
InChIKeyLREFEQJIELAZBB-UHFFFAOYSA-N
XLogP1.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-(4-hydroxyphenyl)piperidine-2,4-dione
CID 83819813
6-(3-methoxyphenyl)piperidine-2,4-dione
CID 83822055
6-(3-bromophenyl)piperidine-2,4-dione
CID 83825931
4-(2,4,6-trimethylphenyl)azetidin-2-one
CID 64664712
(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183820
(6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione
CID 130641897
4-(3-amino-5-methylphenyl)pyrrolidin-2-one
CID 167592266
3-(3,5-dimethylphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105360038
5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one
CID 170345682
4-(3,5-dimethylphenyl)-5,5-dimethyloxolan-2-one
CID 171718961
(4S)-4-(4-aminophenyl)azetidin-2-one
CID 142449189
5-(3-methoxy-5-methylphenyl)cyclohexane-1,3-dione
CID 70907539

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)piperidine-2,4-dione?
The IUPAC name of 6-(3,5-dimethylphenyl)piperidine-2,4-dione (CID 83821744) is 6-(3,5-dimethylphenyl)piperidine-2,4-dione.
What is the SMILES notation for 6-(3,5-dimethylphenyl)piperidine-2,4-dione?
The canonical SMILES for 6-(3,5-dimethylphenyl)piperidine-2,4-dione is Cc1cc(C)cc(C2CC(=O)CC(=O)N2)c1.
What is the InChIKey of 6-(3,5-dimethylphenyl)piperidine-2,4-dione?
The InChIKey is LREFEQJIELAZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-3-9(2)5-10(4-8)12-6-11(15)7-13(16)14-12/h3-5,12H,6-7H2,1-2H3,(H,14,16).
What are the key properties of 6-(3,5-dimethylphenyl)piperidine-2,4-dione?
6-(3,5-dimethylphenyl)piperidine-2,4-dione has a molecular weight of 217.27 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)piperidine-2,4-dione is sourced from PubChem (CID 83821744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).