Basic information
- Standard SMILES
O=C(CC1CC1)NCCN1CCC(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1- InChIKey
KCJLOWWMLDZVGQ-UHFFFAOYSA-N- Molecular formula
- C22H27F6N3O2
- Average molar mass
- 479.5 g/mol
- Monoisotopic mass
- 479.20074608
Names & identifiers
- Preferred name
- N-((1-(2-(2-cyclopropylacetamido)ethyl)piperidin-4-yl)methyl)-3,5-bis(trifluoromethyl)benzamide
- IUPAC
- N-[[1-[2-[(2-cyclopropylacetyl)amino]ethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
Names & synonyms
N-((1-(2-(2-cyclopropylacetamido)ethyl)piperidin-4-yl)methyl)-3,5-bis(trifluoromethyl)benzamideSCHEMBL4273380
Database identifiers
- PubChem CID
- 57993477
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 650
Related reactions
4 records
Compound notes
Loading…