N-methyl-3-(5-methylfuran-2-yl)-N-(piperidin-4-yl)benzamide

• ChemBase ID: 745407
• Molecular Formular: C18H22N2O2
• Molecular Mass: 298.37948
• Monoisotopic Mass: 298.16812795
• SMILES: C(=O)(N(C1CCNCC1)C)c1cc(c2oc(cc2)C)ccc1
• Canonical SMILES: Cc1ccc(o1)c1cccc(c1)C(=O)N(C1CCNCC1)C
• InChI: InChI=1S/C18H22N2O2/c1-13-6-7-17(22-13)14-4-3-5-15(12-14)18(21)20(2)16-8-10-19-11-9-16/h3-7,12,16,19H,8-11H2,1-2H3
• InChIKey: GQLSIUBPYAFWHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(5-methylfuran-2-yl)-N-(piperidin-4-yl)benzamide
• IUPAC Traditional name: N-methyl-3-(5-methylfuran-2-yl)-N-(piperidin-4-yl)benzamide
• Synonyms: N-methyl-3-(5-methyl-2-furyl)-N-piperidin-4-ylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3981352
• LogD (pH = 7.4): -0.71323884
• Log P: 1.8220297
• Molar Refractivity: 87.763 cm^3
• Polarizability: 34.60075 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.17
• LOG S: -3.23
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 3