tert-Butyl {1-[(4-cyanopiperidin-1-yl)carbonyl]-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl}carbamate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCC(C#N)CC2)C1- InChIKey
BXVKKSJLEYZRLZ-UHFFFAOYSA-N- Molecular formula
- C24H31F3N4O3
- Average molar mass
- 480.5 g/mol
Names & identifiers
- Preferred name
- tert-Butyl {1-[(4-cyanopiperidin-1-yl)carbonyl]-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl}carbamate
- IUPAC
- tert-butyl N-[1-(4-cyanopiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamate
Names & synonyms
tert-Butyl {1-[(4-cyanopiperidin-1-yl)carbonyl]-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl}carbamateSCHEMBL10241425
Database identifiers
- PubChem CID
- 68075239
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 773
Related reactions
2 records
Compound notes
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