N,2,3-trimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-6-carboxamide

• ChemBase ID: 662214
• Molecular Formular: C26H32N4O
• Molecular Mass: 416.55848
• Monoisotopic Mass: 416.25761166
• SMILES: C(=O)(N(C1CN(CCCc2ccccc2)CCC1)C)c1cc2nc(c(nc2cc1)C)C
• Canonical SMILES: CN(C(=O)c1ccc2c(c1)nc(c(n2)C)C)C1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C26H32N4O/c1-19-20(2)28-25-17-22(13-14-24(25)27-19)26(31)29(3)23-12-8-16-30(18-23)15-7-11-21-9-5-4-6-10-21/h4-6,9-10,13-14,17,23H,7-8,11-12,15-16,18H2,1-3H3
• InChIKey: ZVBAXDBJOVXJDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,3-trimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-6-carboxamide
• IUPAC Traditional name: N,2,3-trimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-6-carboxamide
• Synonyms: N,2,3-trimethyl-N-[1-(3-phenylpropyl)-3-piperidinyl]-6-quinoxalinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7896837
• LogD (pH = 7.4): 2.5005684
• Log P: 3.8017232
• Molar Refractivity: 124.7041 cm^3
• Polarizability: 49.352825 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.55
• LOG S: -5.29
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 6