Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cccc(Cl)c2)CC1- InChIKey
RZYUZEFSQJQMPF-UHFFFAOYSA-N- Molecular formula
- C17H24ClN3O3
- Average molar mass
- 353.8 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-(2-(3-chlorophenylamino)-2-oxoethyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[2-(3-chloroanilino)-2-oxoethyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL211276RZYUZEFSQJQMPF-UHFFFAOYSA-Ntert-Butyl 4-(2-(3-chlorophenylamino)-2-oxoethyl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 34196462
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Related reactions
3 records
Compound notes
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