Basic information
- Standard SMILES
CCOC(=O)NCCN1CCC(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1- InChIKey
GKKLZIYTOLYNFA-UHFFFAOYSA-N- Molecular formula
- C20H25F6N3O3
- Average molar mass
- 469.4 g/mol
- Monoisotopic mass
- 469.18001064
Names & identifiers
- Preferred name
- Ethyl 2-(4-((3,5-bis(trifluoromethyl)benzamido)methyl)piperidin-1-yl)ethylcarbamate
- IUPAC
- ethyl N-[2-[4-[[[3,5-bis(trifluoromethyl)benzoyl]amino]methyl]piperidin-1-yl]ethyl]carbamate
Names & synonyms
ethyl 2-(4-((3,5-bis(trifluoromethyl)benzamido)methyl)piperidin-1-yl)ethylcarbamateSCHEMBL4274866
Database identifiers
- PubChem CID
- 57993262
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 599
Related reactions
4 records
Compound notes
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