Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)N2CC(NC(=O)c3ccccc3)CC(c3ccc(C(F)(F)F)cc3)C2)CC1- InChIKey
XKVMHMLZKNCTKS-UHFFFAOYSA-N- Molecular formula
- C28H32F3N3O4
- Average molar mass
- 531.6 g/mol
Names & identifiers
- Preferred name
- tert-Butyl [1-({3-[(phenylcarbonyl)amino]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)cyclopropyl]carbamate
- IUPAC
- tert-butyl N-[1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclopropyl]carbamate
Names & synonyms
tert-Butyl [1-({3-[(phenylcarbonyl)amino]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)cyclopropyl]carbamateSCHEMBL10241099
Database identifiers
- PubChem CID
- 68075150
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 870
Related reactions
1 records
Compound notes
Loading…