Basic information
- Standard SMILES
CC(C)CCc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1=O- InChIKey
AWXDEILUBPYUHI-UHFFFAOYSA-N- Molecular formula
- C20H30N2O3
- Average molar mass
- 346.5 g/mol
Names & identifiers
- Preferred name
- 4-[2-(3-Methyl-butyl)-phenyl]-3-oxo-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[2-(3-methylbutyl)phenyl]-3-oxopiperazine-1-carboxylate
Names & synonyms
SCHEMBL4365132AWXDEILUBPYUHI-UHFFFAOYSA-N4-[2-(3-Methyl-butyl)-phenyl]-3-oxo-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69017615
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 470
Related reactions
3 records
Compound notes
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