(3R,5S,6R)-3,5-bis(2-methylpropyl)-6-propan-2-ylpiperazin-2-one

Details

• Internal ID: f07bd6d7-1afc-4f8b-9f7b-d6e959f3b608
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid amides
• IUPAC Name: (3R,5S,6R)-3,5-bis(2-methylpropyl)-6-propan-2-ylpiperazin-2-one
• InChI: InChI=1S/C15H30N2O/c1-9(2)7-12-14(11(5)6)17-15(18)13(16-12)8-10(3)4/h9-14,16H,7-8H2,1-6H3,(H,17,18)/t12-,13+,14+/m0/s1
• InChI Key: GHNFQFAWPOCNIL-BFHYXJOUSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₃₀N₂O
• Molecular Weight: 254.41 g/mol
• Exact Mass: 254.235813585 g/mol
• Topological Polar Surface Area (TPSA): 41.10 Ų
• XlogP: 3.80

Synonyms

There are no found synonyms.

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	96.05%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.10%	96.09%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	89.54%	97.23%
CHEMBL5103	Q969S8	Histone deacetylase 10	88.91%	90.08%
CHEMBL1937	Q92769	Histone deacetylase 2	88.19%	94.75%
CHEMBL253	P34972	Cannabinoid CB2 receptor	88.01%	97.25%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.06%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.22%	95.56%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.81%	90.71%
CHEMBL3401	O75469	Pregnane X receptor	81.40%	94.73%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.15%	91.11%
CHEMBL255	P29275	Adenosine A2b receptor	80.52%	98.59%

Plants that contains it

• Arum palaestinum

Cross-Links

• PubChem: 16721114
• LOTUS: LTS0229916
• wikiData: Q105008622