Basic information
- Standard SMILES
CC(C)(C)OC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(c2ccccc2)CC1- InChIKey
BRBHBXKMICCAFJ-OALUTQOASA-N- Molecular formula
- C23H33N3O3
- Average molar mass
- 399.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl (6S,7S)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylate
- IUPAC
- tert-butyl (6S,7S)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylate
Names & synonyms
SCHEMBL1363985BRBHBXKMICCAFJ-OALUTQOASA-Ntert-butyl (6S,7S)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylate791834-67-8SY459956tert-butyl (6S,7S)-6-[(4-phenylpiperazin-1-yl)carbonyl]-5-azaspiro[2.5]octane-7-carboxylatetert-butyl(6S,7S)-6-[(4-phenylpiperazin-1-yl)carbonyl]-5-azaspiro[2.5]octane-7-carboxylate
Database identifiers
- PubChem CID
- 67006279
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 611
Related reactions
8 records
Compound notes
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