Basic information
- Standard SMILES
COc1cccc(OC)c1C1CCN(C(=O)c2cn(CC(=O)c3ccccn3)c3cc(Cl)ccc23)CC1- InChIKey
HAAMFRINAUELRL-UHFFFAOYSA-N- Molecular formula
- C29H28ClN3O4
- Average molar mass
- 518 g/mol
Names & identifiers
- Preferred name
- 2-{6-Chloro-3-[4-(2,6-dimethoxy-phenyl)-piperidine-1-carbonyl]-indol-1-yl}-1-pyridin-2-yl-ethanone
- IUPAC
- 2-[6-chloro-3-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]-1-pyridin-2-ylethanone
Names & synonyms
SCHEMBL613134HAAMFRINAUELRL-UHFFFAOYSA-N2-{6-Chloro-3-[4-(2,6-dimethoxy-phenyl)-piperidine-1-carbonyl]-indol-1-yl}-1-pyridin-2-yl-ethanone
Database identifiers
- PubChem CID
- 16062189
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 779
Related reactions
2 records
Compound notes
Loading…