Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(C(F)(F)F)cc2F)(C(N)=O)CC1- InChIKey
YEQSGKWSTMYJBG-UHFFFAOYSA-N- Molecular formula
- C19H23F4N3O4
- Average molar mass
- 433.4 g/mol
- Monoisotopic mass
- 433.16246887
Names & identifiers
- Preferred name
- 4-Carbamoyl-4-(2-fluoro-4-trifluoromethyl-benzoylamino)-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-carbamoyl-4-[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]piperidine-1-carboxylate
Names & synonyms
4-carbamoyl-4-(2-fluoro-4-trifluoromethyl-benzoylamino)-piperidine-1-carboxylic acid tert-butyl esterSCHEMBL849211
Database identifiers
- PubChem CID
- 66817124
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 670
Related reactions
2 records
Compound notes
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