(3R)-3-((S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl)-N-(3-(1-hydroxycyclohexyl)-1-(methylamino)propan-2-yl)piperidine-1-carboxamide
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Basic information
- Standard SMILES
CNCC(CC1(O)CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(F)c2)C1- InChIKey
NBHYFTZKHNPKQE-DQADMFPASA-N- Molecular formula
- C28H46FN3O4
- Average molar mass
- 507.7 g/mol
Names & identifiers
- Preferred name
- (3R)-3-((S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl)-N-(3-(1-hydroxycyclohexyl)-1-(methylamino)propan-2-yl)piperidine-1-carboxamide
- IUPAC
- (3R)-3-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[1-(1-hydroxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
Names & synonyms
SCHEMBL1859577NBHYFTZKHNPKQE-DQADMFPASA-N(3R)-3-((S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl)-N-(3-(1-hydroxycyclohexyl)-1-(methylamino)propan-2-yl)piperidine-1-carboxamide
Database identifiers
- PubChem CID
- 57544752
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 663
Related reactions
2 records
Compound notes
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