Basic information
- Standard SMILES
CC1COCCC1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1- InChIKey
AVUGCKDUWBTEFY-YZISKIKGSA-N- Molecular formula
- C25H37F3N4O2
- Average molar mass
- 482.6 g/mol
Names & identifiers
- Preferred name
- N-[(1R,3S)-3-Isopropyl-3-(4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-ylcarbonyl)cyclopentyl]-3-methyltetrahydro-2H-pyran-4-amine
- IUPAC
- [(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
Names & synonyms
N-[(1R,3S)-3-Isopropyl-3-(4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-ylcarbonyl)cyclopentyl]-3-methyltetrahydro-2H-pyran-4-amineSCHEMBL3326356
Database identifiers
- PubChem CID
- 11655972
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 698
Related reactions
1 records
Compound notes
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