Basic information
- Standard SMILES
O=C(N[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1C1CCCCC1)Oc1ccc([N+](=O)[O-])cc1- InChIKey
GHBKDSLISVLFBZ-BJKOFHAPSA-N- Molecular formula
- C26H31N3O6
- Average molar mass
- 481.5 g/mol
- Monoisotopic mass
- 481.22128572
Names & identifiers
- Preferred name
- (3S,4S)-benzyl 4-cyclohexyl-3-((4-nitrophenoxy)carbonylamino)piperidine-1-carboxylate
- IUPAC
- benzyl (3S,4S)-4-cyclohexyl-3-[(4-nitrophenoxy)carbonylamino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL1859954GHBKDSLISVLFBZ-BJKOFHAPSA-N(3S,4S)-benzyl 4-cyclohexyl-3-((4-nitrophenoxy)carbonylamino)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 57544908
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 708
Related reactions
4 records
Compound notes
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