3-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[2-(5-methylfuran-2-yl)ethyl]benzamide

• ChemBase ID: 558878
• Molecular Formular: C23H28N2O4
• Molecular Mass: 396.47942
• Monoisotopic Mass: 396.20490739
• SMILES: C(=O)(N1CCC(Oc2cc(C(=O)NCCc3oc(cc3)C)ccc2)CC1)C1CC1
• Canonical SMILES: Cc1ccc(o1)CCNC(=O)c1cccc(c1)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C23H28N2O4/c1-16-5-8-19(28-16)9-12-24-22(26)18-3-2-4-21(15-18)29-20-10-13-25(14-11-20)23(27)17-6-7-17/h2-5,8,15,17,20H,6-7,9-14H2,1H3,(H,24,26)
• InChIKey: CBUUSFXUYBAWSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[2-(5-methylfuran-2-yl)ethyl]benzamide
• IUPAC Traditional name: 3-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[2-(5-methylfuran-2-yl)ethyl]benzamide
• Synonyms: 3-{[1-(cyclopropylcarbonyl)piperidin-4-yl]oxy}-N-[2-(5-methyl-2-furyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.596207
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.967628
• LogD (pH = 7.4): 1.9676284
• Log P: 1.9676285
• Molar Refractivity: 110.6364 cm^3
• Polarizability: 42.082817 Å^3
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.28
• LOG S: -4.04
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 7