N-((1S,9aS)-Octahydro-1H-quinolizin-1-yl)acetamide

Details

• Internal ID: 5bd8c5f1-9889-4ba7-9ca5-8f52e54bb2e0
• Taxonomy: Organoheterocyclic compounds > Quinolizines
• IUPAC Name: N-[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetamide
• InChI: InChI=1S/C11H20N2O/c1-9(14)12-10-5-4-8-13-7-3-2-6-11(10)13/h10-11H,2-8H2,1H3,(H,12,14)/t10-,11-/m0/s1
• InChI Key: ZFOJLLQHJIXKHO-QWRGUYRKSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₂₀N₂O
• Molecular Weight: 196.29 g/mol
• Exact Mass: 196.157563266 g/mol
• Topological Polar Surface Area (TPSA): 32.30 Ų
• XlogP: 1.00

Synonyms

• CHEMBL2332147
• SCHEMBL15338804
• ZFOJLLQHJIXKHO-QWRGUYRKSA-N
• (1s,9as)-1-(acetylamino)octahydro-1h-quinolizine
• N-((1S,9aS)-Octahydro-1H-quinolizin-1-yl)acetamide

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
CHEMBL4040	P28482	MAP kinase ERK2	96.39%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.89%	96.09%
CHEMBL2581	P07339	Cathepsin D	91.52%	98.95%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	90.78%	93.03%
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.44%	97.25%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	89.99%	93.04%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	86.20%	95.50%
CHEMBL340	P08684	Cytochrome P450 3A4	84.06%	91.19%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.55%	94.45%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.20%	95.89%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	81.98%	94.33%
CHEMBL217	P14416	Dopamine D2 receptor	81.81%	95.62%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 11644088
• LOTUS: LTS0076332
• wikiData: Q105374513