Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COCCN1CCC(c2ccc(C(=O)N[C@H]3CCCC[C@H]3C(=O)NCC#N)cc2)CC1- InChIKey
YBOOVQHFIPKLQZ-YADHBBJMSA-N- Molecular formula
- C24H34N4O3
- Average molar mass
- 426.6 g/mol
Names & identifiers
- Preferred name
- N-((1S,2R)-2-{[(cyanomethyl)amino]carbonyl}cyclohexyl)-4-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
- IUPAC
- N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
Names & synonyms
SCHEMBL5350931YBOOVQHFIPKLQZ-YADHBBJMSA-NN-((1S,2R)-2-{[(cyanomethyl)amino]carbonyl}cyclohexyl)-4-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
Database identifiers
- PubChem CID
- 11453077
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 630
Related reactions
1 records
Compound notes
Loading…