Basic information
- Standard SMILES
CC(C)C(=O)N1CCN(C(=O)c2cccc(C=O)c2)CC1- InChIKey
VCYJVHROAMUPOY-UHFFFAOYSA-N- Molecular formula
- C16H20N2O3
- Average molar mass
- 288.34 g/mol
Names & identifiers
- Preferred name
- 3-(4-Isobutyrylpiperazine-1-carbonyl)benzaldehyde
- IUPAC
- 3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzaldehyde
Names & synonyms
3-(4-isobutyrylpiperazine-1-carbonyl)benzaldehyde1207453-12-0SCHEMBL2045298SCHEMBL27825222VCYJVHROAMUPOY-UHFFFAOYSA-NDB-378480A1-197263-[[4-(2-Methyl-1-oxopropyl)-1-piperazinyl]carbonyl]benzaldehyde
Database identifiers
- PubChem CID
- 86639028
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 400
Related reactions
11 records
Compound notes
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