N-(2-methylpropyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide

• ChemBase ID: 713167
• Molecular Formular: C19H29N3O2
• Molecular Mass: 331.45246
• Monoisotopic Mass: 331.22597718
• SMILES: C1(C(=O)NCCN1CCCc1ccccc1)CC(=O)NCC(C)C
• Canonical SMILES: CC(CNC(=O)CC1N(CCCc2ccccc2)CCNC1=O)C
• InChI: InChI=1S/C19H29N3O2/c1-15(2)14-21-18(23)13-17-19(24)20-10-12-22(17)11-6-9-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3,(H,20,24)(H,21,23)
• InChIKey: ZAUPSUARJUCYLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylpropyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
• IUPAC Traditional name: N-(2-methylpropyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
• Synonyms: N-isobutyl-2-[3-oxo-1-(3-phenylpropyl)-2-piperazinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.488923
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.37131834
• LogD (pH = 7.4): 1.7886993
• Log P: 1.9590533
• Molar Refractivity: 95.7836 cm^3
• Polarizability: 37.40626 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.6
• LOG S: -2.98
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 8