2-{[1-(furan-2-ylmethyl)piperidin-4-yl]oxy}-4-methoxy-N-(2-methoxyethyl)benzamide

• ChemBase ID: 828378
• Molecular Formular: C21H28N2O5
• Molecular Mass: 388.45742
• Monoisotopic Mass: 388.19982201
• SMILES: c1(c(cc(cc1)OC)OC1CCN(Cc2occc2)CC1)C(=O)NCCOC
• Canonical SMILES: COCCNC(=O)c1ccc(cc1OC1CCN(CC1)Cc1ccco1)OC
• InChI: InChI=1S/C21H28N2O5/c1-25-13-9-22-21(24)19-6-5-17(26-2)14-20(19)28-16-7-10-23(11-8-16)15-18-4-3-12-27-18/h3-6,12,14,16H,7-11,13,15H2,1-2H3,(H,22,24)
• InChIKey: WYZXFMQPOLOHHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[1-(furan-2-ylmethyl)piperidin-4-yl]oxy}-4-methoxy-N-(2-methoxyethyl)benzamide
• IUPAC Traditional name: 2-{[1-(furan-2-ylmethyl)piperidin-4-yl]oxy}-4-methoxy-N-(2-methoxyethyl)benzamide
• Synonyms: 2-{[1-(2-furylmethyl)-4-piperidinyl]oxy}-4-methoxy-N-(2-methoxyethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.198495
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.8370085
• LogD (pH = 7.4): 0.9061489
• Log P: 1.49677
• Molar Refractivity: 106.4576 cm^3
• Polarizability: 40.89952 Å^3
• Polar Surface Area: 73.17 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.1
• LOG S: -3.25
• Polar Surface Area: 73.17 Å^2
• Rotatable Bonds: 7