4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
Basic information
- CAS
438216-39-8- Standard SMILES
CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1- InChIKey
QTOKUUORHAGPSO-UHFFFAOYSA-N- Molecular formula
- C19H20ClN3O2
- Average molar mass
- 357.8 g/mol
- Monoisotopic mass
- 357.1244046
Names & identifiers
- Preferred name
- 4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
- IUPAC
- 4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
Names & synonyms
4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide438216-39-8TCMDC-1258214-(4-acetylphenyl)-N-(4-chlorophenyl)-1-piperazinecarboxamideMLS000660727CHEMBL547977DTXSID401329843HMS2667K21STK430538AKOS001299087SMR000310245ST50830297
Show more names
AK-968/41169580SR-01000100517SR-01000100517-1Z44572632[4-(4-acetylphenyl)piperazinyl]-N-(4-chlorophenyl)carboxamide
Database identifiers
- CAS
438216-39-8- PubChem CID
- 4150876
- DTXSID
DTXSID401329843- ChEMBL
CHEMBL547977
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 463
Experimental & physicochemical properties
Solubility1.3 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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