Basic information
- Standard SMILES
COC(=O)c1cc(N2CC[C@H](NC(=O)OCc3ccccc3)[C@H](OC)C2)ccc1F- InChIKey
NWXOGNITYFVSHK-VQTJNVASSA-N- Molecular formula
- C22H25FN2O5
- Average molar mass
- 416.4 g/mol
Names & identifiers
- Preferred name
- Methyl cis(+/-)-5-(4-{[(benzyloxy)carbonyl]amino}-3-methoxypiperidin-1-yl)-2-fluorobenzoate
- IUPAC
- methyl 2-fluoro-5-[(3R,4S)-3-methoxy-4-(phenylmethoxycarbonylamino)piperidin-1-yl]benzoate
Names & synonyms
NWXOGNITYFVSHK-VQTJNVASSA-NMethyl cis(+/-)-5-(4-{[(benzyloxy)carbonyl]amino}-3-methoxypiperidin-1-yl)-2-fluorobenzoate
Database identifiers
- PubChem CID
- 86648732
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 572
Related reactions
4 records
Compound notes
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