1,4-Diacetyl-3,6-dibenzylpiperazine-2,5-dione
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Basic information
- CAS
59552-68-0- Standard SMILES
CC(=O)N1C(=O)C(Cc2ccccc2)N(C(C)=O)C(=O)C1Cc1ccccc1- InChIKey
CHUOLQZODKVFAI-UHFFFAOYSA-N- Molecular formula
- C22H22N2O4
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.15795719
Names & identifiers
- Preferred name
- 1,4-Diacetyl-3,6-dibenzylpiperazine-2,5-dione
- IUPAC
- 1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione
- English name
- 1,4-Diacetyl-3,6-dibenzyltetrahydro-2,5-pyrazinedione
- Molecular formula
- C22H22N2O4
- Molecular weight
- 378.42
Names & synonyms
1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione59552-68-0Bionet1_003057Oprea1_0226781,4-diacetyl-3,6-dibenzyltetrahydro-2,5-pyrazinedioneHMS577E19AKOS0050926824N-7172,5-Piperazinedione, 1,4-diacetyl-3,6-bis(phenylmethyl)-
Database identifiers
- CAS
59552-68-0- PubChem CID
- 4680633
- Nikkaji
- J1.569.567F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 566
Physicochemical properties
- Melting point
- 149 °C · 149 °C
- Boiling point
- 592.1 · 592.1±43.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- pka
- -1.74 · -1.74±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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