2-(4-Phenylpiperidino)-ethyl 2-(3-nitrobenzylidene)acetoacetate
Basic information
- Standard SMILES
CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)OCCN1CCC(c2ccccc2)CC1- InChIKey
IOBYTHWDRHVWGA-UHFFFAOYSA-N- Molecular formula
- C24H26N2O5
- Average molar mass
- 422.5 g/mol
Names & identifiers
- Preferred name
- 2-(4-Phenylpiperidino)-ethyl 2-(3-nitrobenzylidene)acetoacetate
- IUPAC
- 2-(4-phenylpiperidin-1-yl)ethyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
Names & synonyms
SCHEMBL7282853IOBYTHWDRHVWGA-UHFFFAOYSA-N2-(4-phenylpiperidino)-ethyl 2-(3-nitrobenzylidene)acetoacetate
Database identifiers
- PubChem CID
- 53926432
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 657
Related reactions
2 records
Compound notes
Loading…