N-phenyl-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C(Nc1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1- InChIKey
NBEFBHIGDRIVJF-UHFFFAOYSA-N- Molecular formula
- C25H22F3N3O2
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.16641144
Names & identifiers
- Preferred name
- N-phenyl-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide
- IUPAC
- N-phenyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
Names & synonyms
N-phenyl-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamideSCHEMBL1009288CHEMBL1651536PD139755
Database identifiers
- PubChem CID
- 24968340
- ChEMBL
CHEMBL1651536
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 668
Related reactions
2 records
Compound notes
Loading…