Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)CC1- InChIKey
OXKQXVOWLGBWJR-UHFFFAOYSA-N- Molecular formula
- C26H29N3O3
- Average molar mass
- 431.5 g/mol
Names & identifiers
- Preferred name
- 4-[4-(Naphthalen-2-ylcarbamoyl)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[4-(naphthalen-2-ylcarbamoyl)phenyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL2300548OXKQXVOWLGBWJR-UHFFFAOYSA-N4-[4-(Naphthalen-2-ylcarbamoyl)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59317992
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 645
Related reactions
2 records
Compound notes
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