Molecule ID: 6109346

IUPAC Name: (3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione

Description: The molecule is a member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione in which the two hydrogen at position 3 and those at position 6 are replaced by benzylidene and isobutylidene groups (the 3Z,6Z-geoisomer). It has a role as a metabolite.

SMILES: CC(C)/C=c1\nc(O)/c(=C/c2ccccc2)nc1O

SELFIES: [C][C][Branch1][C][C][/C][=C][\N][=C][Branch1][C][O][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=C][O]

InChI: InChI=1S/C15H16N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,19)(H,17,18)/b12-8-,13-9-

Molecular Properties:
- Polar Surface Area: 58.2 Ų
- LogP: 2.4