Basic information
- Standard SMILES
COC(=O)[C@H]1CN(/C(=C/[N+](=O)[O-])N2CCCCC2)CC[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1- InChIKey
XJWREQGMMSUEOQ-BTULWMPESA-N- Molecular formula
- C25H34N4O5
- Average molar mass
- 470.6 g/mol
- Monoisotopic mass
- 470.2529202
Names & identifiers
- Preferred name
- methyl(3R,4S)-1-[(E)-2-nitro-1-piperidin-1-ylvinyl]-4-[(3R)-3-phenylpyrrolidin-1-yl]carbonylpiperidine-3-carboxylate
- IUPAC
- methyl (3R,4S)-1-[(E)-2-nitro-1-piperidin-1-ylethenyl]-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxylate
Names & synonyms
SCHEMBL2174303XJWREQGMMSUEOQ-BTULWMPESA-Nmethyl (3r,4s)-1-[(e)-2-nitro-1-piperidin-1-ylvinyl]-4-[(3r)-3-phenylpyrrolidin-1-yl]carbonylpiperidine-3-carboxylatemethyl(3R,4S)-1-[(E)-2-nitro-1-piperidin-1-ylvinyl]-4-[(3R)-3-phenylpyrrolidin-1-yl]carbonylpiperidine-3-carboxylate
Database identifiers
- PubChem CID
- 67304657
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 770
Related reactions
2 records
Compound notes
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