Basic information
- CAS
70826-41-4- Standard SMILES
O=C1CN(c2ccccc2)C(=O)CN1Nc1ccccc1- InChIKey
QPJPCISHHHCABA-UHFFFAOYSA-N- Molecular formula
- C16H15N3O2
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.11642673
Names & identifiers
- Preferred name
- 1-Phenyl-4-(phenylamino)-2,5-piperazinedione
- IUPAC
- 1-anilino-4-phenylpiperazine-2,5-dione
Names & synonyms
1-Phenyl-4-(phenylamino)-2,5-piperazinedione70826-41-42,5-Piperazinedione, 1-phenyl-4-(phenylamino)-NSC322062XI0M973MKQNSC-3220621-anilino-4-phenylpiperazine-2,5-dioneNSC 322062UNII-XI0M973MKQDTXSID802210791-anilino-4-phenyl-piperazine-2,5-dione
Database identifiers
- CAS
70826-41-4- PubChem CID
- 73244
- DTXSID
DTXSID80221079- UNII
- XI0M973MKQ
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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