4-phenyl-N-{[1-(pyrazin-2-yl)piperidin-3-yl]methyl}benzamide

• ChemBase ID: 389234
• Molecular Formular: C23H24N4O
• Molecular Mass: 372.46286
• Monoisotopic Mass: 372.19501141
• SMILES: N1(c2nccnc2)CC(CNC(=O)c2ccc(cc2)c2ccccc2)CCC1
• Canonical SMILES: O=C(c1ccc(cc1)c1ccccc1)NCC1CCCN(C1)c1cnccn1
• InChI: InChI=1S/C23H24N4O/c28-23(21-10-8-20(9-11-21)19-6-2-1-3-7-19)26-15-18-5-4-14-27(17-18)22-16-24-12-13-25-22/h1-3,6-13,16,18H,4-5,14-15,17H2,(H,26,28)
• InChIKey: JFNAAQUHBJBOGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-N-{[1-(pyrazin-2-yl)piperidin-3-yl]methyl}benzamide
• IUPAC Traditional name: 4-phenyl-N-{[1-(pyrazin-2-yl)piperidin-3-yl]methyl}benzamide
• Synonyms: N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]biphenyl-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.915753
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.273871
• LogD (pH = 7.4): 3.2739825
• Log P: 3.273984
• Molar Refractivity: 111.8378 cm^3
• Polarizability: 43.399204 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.39
• LOG S: -4.81
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 5