N-methyl-2-(1-{[5-(oxan-2-yl)furan-2-yl]methyl}piperidin-4-yl)acetamide

• ChemBase ID: 575399
• Molecular Formular: C18H28N2O3
• Molecular Mass: 320.42652
• Monoisotopic Mass: 320.20999277
• SMILES: c1(oc(cc1)CN1CCC(CC(=O)NC)CC1)C1OCCCC1
• Canonical SMILES: CNC(=O)CC1CCN(CC1)Cc1ccc(o1)C1CCCCO1
• InChI: InChI=1S/C18H28N2O3/c1-19-18(21)12-14-7-9-20(10-8-14)13-15-5-6-17(23-15)16-4-2-3-11-22-16/h5-6,14,16H,2-4,7-13H2,1H3,(H,19,21)
• InChIKey: BASXUMBODDYWGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(1-{[5-(oxan-2-yl)furan-2-yl]methyl}piperidin-4-yl)acetamide
• IUPAC Traditional name: N-methyl-2-(1-{[5-(oxan-2-yl)furan-2-yl]methyl}piperidin-4-yl)acetamide
• Synonyms: N-methyl-2-(1-{[5-(tetrahydro-2H-pyran-2-yl)-2-furyl]methyl}piperidin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.385644
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0493989
• LogD (pH = 7.4): 0.70693594
• Log P: 1.3592459
• Molar Refractivity: 89.9243 cm^3
• Polarizability: 34.94148 Å^3
• Polar Surface Area: 54.71 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: 0.94
• LOG S: -2.34
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 5