Basic information
- Standard SMILES
CC1C(=O)N(CCC=O)CCN1C(=O)OC(C)(C)C- InChIKey
WXBJOSNCCOCLPX-UHFFFAOYSA-N- Molecular formula
- C13H22N2O4
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.15795719
Names & identifiers
- Preferred name
- 2-Methyl-3-oxo-4-(3-oxo-propyl)-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-methyl-3-oxo-4-(3-oxopropyl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL1342098WXBJOSNCCOCLPX-UHFFFAOYSA-N2-methyl-3-oxo-4-(3-oxo-propyl)-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 86626322
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 362
Related reactions
2 records
Compound notes
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