N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]quinoxaline-6-carboxamide

• ChemBase ID: 713213
• Molecular Formular: C23H26N4O
• Molecular Mass: 374.47874
• Monoisotopic Mass: 374.21066147
• SMILES: C(=O)(N(C1CN(CCc2ccccc2)CCC1)C)c1cc2nccnc2cc1
• Canonical SMILES: CN(C(=O)c1ccc2c(c1)nccn2)C1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C23H26N4O/c1-26(23(28)19-9-10-21-22(16-19)25-13-12-24-21)20-8-5-14-27(17-20)15-11-18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,16,20H,5,8,11,14-15,17H2,1H3
• InChIKey: CWYCJINUAISAGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.24114093
• LogD (pH = 7.4): 1.9967296
• Log P: 3.0944142
• Molar Refractivity: 110.9201 cm^3
• Polarizability: 43.976162 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.22
• LOG S: -3.68
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 5