[5-([1,4']Bipiperidinyl-1'-carbonyl)-1-(3-chloro-phenyl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone
Basic information
- Standard SMILES
O=C(c1ccc2c(c1)cc(C(=O)N1CCC(F)(F)CC1)n2-c1cccc(Cl)c1)N1CCC(N2CCCCC2)CC1- InChIKey
CJRWMZNDYZOCFB-UHFFFAOYSA-N- Molecular formula
- C31H35ClF2N4O2
- Average molar mass
- 569.1 g/mol
- Monoisotopic mass
- 568.2416604
Names & identifiers
- Preferred name
- [5-([1,4']Bipiperidinyl-1'-carbonyl)-1-(3-chloro-phenyl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone
- IUPAC
- [1-(3-chlorophenyl)-2-(4,4-difluoropiperidine-1-carbonyl)indol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
Names & synonyms
[5-([1,4']Bipiperidinyl-1'-carbonyl)-1-(3-chloro-phenyl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanoneSCHEMBL3537097
Database identifiers
- PubChem CID
- 68680985
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 48.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 900
Related reactions
2 records
Compound notes
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