4-(4-Methylbenzoyl)piperazine-2,6-dione
Basic information
- CAS
259228-04-1- Standard SMILES
Cc1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1- InChIKey
MPGIBRLEIRRDRY-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- 4-(4-Methylbenzoyl)piperazine-2,6-dione
- IUPAC
- 4-(4-methylbenzoyl)piperazine-2,6-dione
Names & synonyms
4-(4-methylbenzoyl)piperazine-2,6-dione259228-04-14-(4-Methyl-benzoyl)-piperazine-2,6-dioneOprea1_037871Oprea1_516628MLS001208117CHEMBL1606600MPGIBRLEIRRDRY-UHFFFAOYSA-NDTXSID101332049HMS1672C10STK806293AKOS000645846
Show more names
SDCCGMLS-0064886.P001SMR0005150224-(4-Methylbenzoyl)-2,6-piperazinedione #Piperazine-2,5-dione, 4-(4-methylbenzoyl)-4-[(4-methylphenyl)carbonyl]piperazine-2,6-dione
Database identifiers
- CAS
259228-04-1- PubChem CID
- 576804
- DTXSID
DTXSID101332049- ChEMBL
CHEMBL1606600
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 330
Experimental & physicochemical properties
Solubility29.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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