Basic information
- Standard SMILES
COC(=O)c1ccccc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1- InChIKey
JJWMIBDXYAOOOI-UHFFFAOYSA-N- Molecular formula
- C18H24N2O5
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.16852187
Names & identifiers
- Preferred name
- tert-Butyl 4-{[2-(methoxycarbonyl)phenyl]carbonyl}piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(2-methoxycarbonylbenzoyl)piperazine-1-carboxylate
Names & synonyms
1093641-67-8tert-Butyl 4-{[2-(methoxycarbonyl)phenyl]carbonyl}piperazine-1-carboxylatetert-butyl 4-(2-methoxycarbonylbenzoyl)piperazine-1-carboxylate4-(2-methoxycarbonyl-benzoyl)-piperazine-1-carboxylic acid tert-butyl esterSCHEMBL1222562JJWMIBDXYAOOOI-UHFFFAOYSA-NMFCD31653779BS-347321-Boc-4-{[2-(methoxycarbonyl)phenyl]carbonyl}piperazinetert-Butyl4-{[2-(methoxycarbonyl)phenyl]carbonyl}piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 59559652
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 506
Related reactions
4 records
Compound notes
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