2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide

• ChemBase ID: 448130
• Molecular Formular: C23H28N2O5
• Molecular Mass: 412.47882
• Monoisotopic Mass: 412.19982201
• SMILES: c1(C(=O)NCc2oc(cc2)C)c(OC2CCN(C(=O)C3CC3)CC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)NCc1ccc(o1)C)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C23H28N2O5/c1-15-3-6-19(29-15)14-24-22(26)20-13-18(28-2)7-8-21(20)30-17-9-11-25(12-10-17)23(27)16-4-5-16/h3,6-8,13,16-17H,4-5,9-12,14H2,1-2H3,(H,24,26)
• InChIKey: CGIZXDXGMJGNEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
• IUPAC Traditional name: 2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
• Synonyms: 2-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-5-methoxy-N-[(5-methyl-2-furyl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.521969
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7499971
• LogD (pH = 7.4): 1.7499971
• Log P: 1.7499974
• Molar Refractivity: 112.2342 cm^3
• Polarizability: 42.782146 Å^3
• Polar Surface Area: 81.01 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.68
• LOG S: -5.11
• Polar Surface Area: 81.01 Å^2
• Rotatable Bonds: 6