3-Benzyl-6-methyl-2,5-piperazinedione

Details

• Internal ID: bf6de539-7571-47c8-bd2c-f5aec5214d94
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
• IUPAC Name: 3-benzyl-6-methylpiperazine-2,5-dione
• InChI: InChI=1S/C12H14N2O2/c1-8-11(15)14-10(12(16)13-8)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,13,16)(H,14,15)
• InChI Key: CNXWPOWVDIUTPS-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₄N₂O₂
• Molecular Weight: 218.25 g/mol
• Exact Mass: 218.105527694 g/mol
• Topological Polar Surface Area (TPSA): 58.20 Ų
• XlogP: 0.70

Synonyms

• 14474-78-3
• 3-Benzyl-6-methyl-2,5-piperazinedione
• 3-benzyl-6-methylpiperazine-2,5-dione
• 2,5-Piperazinedione, 3-methyl-6-(phenylmethyl)-
• orb1680318
• SCHEMBL25429657
• DTXSID20932399
• CNXWPOWVDIUTPS-UHFFFAOYSA-N
• PAA47478
• AKOS012403839
• FS-6939
• 3-Benzyl-6-methyl-2,5-piperazinedione #
• 3-Benzyl-6-methyl-3,6-dihydropyrazine-2,5-diol

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	97.65%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.23%	95.56%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	89.17%	97.64%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.33%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.49%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.51%	91.11%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139767
• LOTUS: LTS0081826
• wikiData: Q82908095