Basic information
- Standard SMILES
COC(=O)CC1CN[C@H](C(=O)N2CCC(c3ccccc3)C2)[C@@H](C(=O)OC(C)(C)C)C1- InChIKey
BCYXUCZOZCRWDC-JBZVSFTFSA-N- Molecular formula
- C24H34N2O5
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.24677219
Names & identifiers
- Preferred name
- tert-butyl(2S,3S)-5-(2-methoxy-2-oxoethyl)-2-[(3-phenylpyrrolidin-1-yl)carbonyl]piperidine-3-carboxylate
- IUPAC
- tert-butyl (2S,3S)-5-(2-methoxy-2-oxoethyl)-2-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxylate
Names & synonyms
SCHEMBL2172162BCYXUCZOZCRWDC-JBZVSFTFSA-Ntert-butyl (2s,3s)-5-(2-methoxy-2-oxoethyl)-2-[(3-phenylpyrrolidin-1-yl)carbonyl]piperidine-3-carboxylatetert-butyl(2S,3S)-5-(2-methoxy-2-oxoethyl)-2-[(3-phenylpyrrolidin-1-yl)carbonyl]piperidine-3-carboxylate
Database identifiers
- PubChem CID
- 67304072
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 653
Related reactions
4 records
Compound notes
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