Basic information
- Standard SMILES
COC(=O)[C@H]1C[C@H](OC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1- InChIKey
LEZOKFMDBVYVIJ-ACRUOGEOSA-N- Molecular formula
- C24H31N3O5
- Average molar mass
- 441.5 g/mol
Names & identifiers
- Preferred name
- Methyl (2s,3s,5s)-2-[(4-phenyl-3,6-dihydropyridin-1(2h)-yl)carbonyl]-5-[(pyrrolidin-1-ylcarbonyl)oxy]piperidine-3-carboxylate
- IUPAC
- methyl (2S,3S,5S)-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-(pyrrolidine-1-carbonyloxy)piperidine-3-carboxylate
Names & synonyms
SCHEMBL2172900LEZOKFMDBVYVIJ-ACRUOGEOSA-Nmethyl (2S,3S,5S)-2-[(4-phenyl-3,6-dihydropyridin-1 (2H)-yl)carbonyl]-5-[(pyrrolidin-1-ylcarbonyl)oxy]piperidine-3-carboxylatemethyl (2s,3s,5s)-2-[(4-phenyl-3,6-dihydropyridin-1(2h)-yl)carbonyl]-5-[(pyrrolidin-1-ylcarbonyl)oxy]piperidine-3-carboxylatemethyl(2S,3S,5S)-2-[(4-phenyl-3,6-dihydropyridin-1(2H)-yl)carbonyl]-5-[(pyrrolidin-1-ylcarbonyl)oxy]piperidine-3-carboxylate
Database identifiers
- PubChem CID
- 67304271
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 727
Related reactions
2 records
Compound notes
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