R116031

Ligand id: 5754

Name: R116031

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 55.89
Molecular weight 660.29
XLogP 9.9
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-[(2R,4S)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(phenylmethyl)piperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
Synonyms
R 116031 | R-116031
Database Links
PubChem CID 9917716
Search Google for chemical match using the InChIKey KHOXGPDKCIQOOR-XZWHSSHBSA-N
Search Google for chemicals with the same backbone KHOXGPDKCIQOOR
Search UniChem for chemical match using the InChIKey KHOXGPDKCIQOOR-XZWHSSHBSA-N
Search UniChem for chemicals with the same backbone KHOXGPDKCIQOOR