N-[1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-6-carboxamide

• ChemBase ID: 371564
• Molecular Formular: C23H26N4O
• Molecular Mass: 374.47874
• Monoisotopic Mass: 374.21066147
• SMILES: C(=O)(c1cc2nccnc2cc1)NC1CN(CCCc2ccccc2)CCC1
• Canonical SMILES: O=C(c1ccc2c(c1)nccn2)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C23H26N4O/c28-23(19-10-11-21-22(16-19)25-13-12-24-21)26-20-9-5-15-27(17-20)14-4-8-18-6-2-1-3-7-18/h1-3,6-7,10-13,16,20H,4-5,8-9,14-15,17H2,(H,26,28)
• InChIKey: FYZGABTVBYQCRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-6-carboxamide
• IUPAC Traditional name: N-[1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-6-carboxamide
• Synonyms: N-[1-(3-phenylpropyl)-3-piperidinyl]-6-quinoxalinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.883669
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.45162106
• LogD (pH = 7.4): 2.2052364
• Log P: 3.3153067
• Molar Refractivity: 110.6244 cm^3
• Polarizability: 43.97709 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.01
• LOG S: -4.82
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 6