Molecule ID: 2145

IUPAC Name: 3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione

Description: The molecule is a dicarboximide that is a six-membered cyclic compound having ethyl and 4-aminophenyl substituents at the 3-position. It has a role as an antineoplastic agent, an adrenergic agent, an EC 1.14.14.14 (aromatase) inhibitor and an anticonvulsant. It is a dicarboximide, a member of piperidones and a substituted aniline. It derives from a piperidine-2,6-dione.

SMILES: CCC1(c2ccc(N)cc2)CCC(O)=NC1=O

SELFIES: [C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][C][C][Branch1][C][O][=N][C][Ring1][=C][=O]

InChI: InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)

Molecular Properties:
- Polar Surface Area: 72.2 Ų
- LogP: 1.2