(3S)-1-Benzyl-3-(2-methylpropyl)piperazine-2,5-dione

HCID 60009293

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Basic information

CAS: 502482-25-9
Standard SMILES: CC(C)C[C@@H]1NC(=O)CN(Cc2ccccc2)C1=O
InChIKey: PEIXSNIISQLJKP-ZDUSSCGKSA-N
Molecular formula: C15H20N2O2
Average molar mass: 260.33 g/mol
Monoisotopic mass: 260.15247789

Names & identifiers

Preferred name: (3S)-1-Benzyl-3-(2-methylpropyl)piperazine-2,5-dione
IUPAC: (3S)-1-benzyl-3-(2-methylpropyl)piperazine-2,5-dione

Names & synonyms

502482-25-9(3S)-1-Benzyl-3-(2-methylpropyl)piperazine-2,5-dioneDTXSID70733459RefChem:208214DTXCID00684203(S)-1-Benzyl-3-isobutylpiperazine-2,5-dioneSCHEMBL4631086PEIXSNIISQLJKP-ZDUSSCGKSA-NDB-3623891-benzyl-3(S)-(+)-isobutylpiperazine-2,5-dione

Database identifiers

CAS: 502482-25-9
PubChem CID: 60009293
DTXSID: DTXSID70733459

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 49.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 335

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