[(S)-3-(4-fluorobenzyl)-piperidin-1-yl]-[(3R,4S)-4-((R)-1-phenyl-ethylamino)-tetrahydrothiophen-3-yl]-methanone
Basic information
- Standard SMILES
C[C@@H](N[C@@H]1CSC[C@H]1C(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)c1ccccc1- InChIKey
AYSIHKVWHNEKKW-BHLLPTRUSA-N- Molecular formula
- C25H31FN2OS
- Average molar mass
- 426.6 g/mol
- Monoisotopic mass
- 426.21411295
Names & identifiers
- Preferred name
- [(S)-3-(4-fluorobenzyl)-piperidin-1-yl]-[(3R,4S)-4-((R)-1-phenyl-ethylamino)-tetrahydrothiophen-3-yl]-methanone
- IUPAC
- [(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-[(3R,4S)-4-[[(1R)-1-phenylethyl]amino]thiolan-3-yl]methanone
Names & synonyms
SCHEMBL6346331AYSIHKVWHNEKKW-BHLLPTRUSA-N[(S)-3-(4-fluorobenzyl)-piperidin-1-yl]-[(3R,4S)-4-((R)-1-phenyl-ethylamino)-tetrahydrothiophen-3-yl]-methanone[(S)-3-(4-fluorobenzyl)-piperidin-1-yl]-[(3R,4S)-4-[(R)-1-phenyl-ethylamino]-tetrahydro-thiophen-3-yl]-methanone
Database identifiers
- PubChem CID
- 69747757
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 547
Related reactions
4 records
Compound notes
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