N,N-diphenylpiperazine-1-carboxamide

• ChemBase ID: 74307
• Molecular Formular: C17H19N3O
• Molecular Mass: 281.35226
• Monoisotopic Mass: 281.15281224
• SMILES: N(c1ccccc1)(c1ccccc1)C(=O)N1CCNCC1
• Canonical SMILES: O=C(N(c1ccccc1)c1ccccc1)N1CCNCC1
• InChI: InChI=1S/C17H19N3O/c21-17(19-13-11-18-12-14-19)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,18H,11-14H2
• InChIKey: XQRSOLXZAPIGQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diphenylpiperazine-1-carboxamide
• IUPAC Traditional name: N,N-diphenylpiperazine-1-carboxamide
• Synonyms: Piperazine-1-carboxylic acid diphenylamide

Database IDs

• CAS Number: 1804-36-0
• MDL Number: MFCD04973347
• PubChem SID: 162039226
• PubChem CID: 410743

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.03962242
• LogD (pH = 7.4): 1.7529954
• Log P: 2.310859
• Molar Refractivity: 83.04 cm^3
• Polarizability: 32.25235 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant