N-(2-{1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl}ethyl)acetamide

• ChemBase ID: 837642
• Molecular Formular: C19H26N4O
• Molecular Mass: 326.43594
• Monoisotopic Mass: 326.21066147
• SMILES: c1(nc2c(nc1C)cccc2)CN1C(CCNC(=O)C)CCCC1
• Canonical SMILES: CC(=O)NCCC1CCCCN1Cc1nc2ccccc2nc1C
• InChI: InChI=1S/C19H26N4O/c1-14-19(22-18-9-4-3-8-17(18)21-14)13-23-12-6-5-7-16(23)10-11-20-15(2)24/h3-4,8-9,16H,5-7,10-13H2,1-2H3,(H,20,24)
• InChIKey: RRLVDOVYJWMEIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl}ethyl)acetamide
• IUPAC Traditional name: N-(2-{1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl}ethyl)acetamide
• Synonyms: N-(2-{1-[(3-methyl-2-quinoxalinyl)methyl]-2-piperidinyl}ethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.79117
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.97270226
• LogD (pH = 7.4): 0.7850276
• Log P: 1.4452729
• Molar Refractivity: 94.1336 cm^3
• Polarizability: 38.25879 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: 4
• H Donor: 1
• Log P: 1.28
• LOG S: -2.67
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 5