Benzyl 4-(3-ethoxy-3-oxoprop-1-enyl)piperidine-1-carboxylate
Basic information
- Standard SMILES
CCOC(=O)C=CC1CCN(C(=O)OCc2ccccc2)CC1- InChIKey
GVXJIJWMLXWNHX-UHFFFAOYSA-N- Molecular formula
- C18H23NO4
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.16270821
Names & identifiers
- Preferred name
- Benzyl 4-(3-ethoxy-3-oxoprop-1-enyl)piperidine-1-carboxylate
- IUPAC
- benzyl 4-(3-ethoxy-3-oxoprop-1-enyl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL3602069
Database identifiers
- PubChem CID
- 68709221
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Related reactions
1 records
Compound notes
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