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

C17H23NO2 — CID 79317570

IUPAC4-(3,5-dimethylphenyl)-3-(2-methylpropyl)piperidine-2,6-dione
SMILESCc1cc(C)cc(C2CC(=O)NC(=O)C2CC(C)C)c1
InChIInChI=1S/C17H23NO2/c1-10(2)5-15-14(9-16(19)18-17(15)20)13-7-11(3)6-12(4)8-13/h6-8,10,14-15H,5,9H2,1-4H3,(H,18,19,20)
InChIKeyDGJNGQILTOQDFT-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.10
Rot. Bonds3

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

4-(3,5-dimethylphenyl)-3-(2-methylpropyl)piperidine-2,6-dione (PubChem CID 79317570) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-3-(2-methylpropyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-3-(2-methylpropyl)piperidine-2,6-dione
PubChem CID79317570
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-(3,5-dimethylphenyl)-3-(2-methylpropyl)piperidine-2,6-dione
SMILESCc1cc(C)cc(C2CC(=O)NC(=O)C2CC(C)C)c1
InChIInChI=1S/C17H23NO2/c1-10(2)5-15-14(9-16(19)18-17(15)20)13-7-11(3)6-12(4)8-13/h6-8,10,14-15H,5,9H2,1-4H3,(H,18,19,20)
InChIKeyDGJNGQILTOQDFT-UHFFFAOYSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3,5-dimethylphenyl)-3-(2-methylpropyl)piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-3-(2-methylpropyl)piperidine-2,6-dione?
The IUPAC name of 4-(3,5-dimethylphenyl)-3-(2-methylpropyl)piperidine-2,6-dione (CID 79317570) is 4-(3,5-dimethylphenyl)-3-(2-methylpropyl)piperidine-2,6-dione.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-3-(2-methylpropyl)piperidine-2,6-dione?
The canonical SMILES for 4-(3,5-dimethylphenyl)-3-(2-methylpropyl)piperidine-2,6-dione is Cc1cc(C)cc(C2CC(=O)NC(=O)C2CC(C)C)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-3-(2-methylpropyl)piperidine-2,6-dione?
The InChIKey is DGJNGQILTOQDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-10(2)5-15-14(9-16(19)18-17(15)20)13-7-11(3)6-12(4)8-13/h6-8,10,14-15H,5,9H2,1-4H3,(H,18,19,20).
What are the key properties of 4-(3,5-dimethylphenyl)-3-(2-methylpropyl)piperidine-2,6-dione?
4-(3,5-dimethylphenyl)-3-(2-methylpropyl)piperidine-2,6-dione has a molecular weight of 273.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-3-(2-methylpropyl)piperidine-2,6-dione is sourced from PubChem (CID 79317570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).