N-(2-methoxyethyl)-4-{[1-(2-phenylethyl)piperidin-4-yl]oxy}-N-(propan-2-yl)benzamide

• ChemBase ID: 372621
• Molecular Formular: C26H36N2O3
• Molecular Mass: 424.57564
• Monoisotopic Mass: 424.27259302
• SMILES: C(=O)(N(C(C)C)CCOC)c1ccc(OC2CCN(CC2)CCc2ccccc2)cc1
• Canonical SMILES: COCCN(C(=O)c1ccc(cc1)OC1CCN(CC1)CCc1ccccc1)C(C)C
• InChI: InChI=1S/C26H36N2O3/c1-21(2)28(19-20-30-3)26(29)23-9-11-24(12-10-23)31-25-14-17-27(18-15-25)16-13-22-7-5-4-6-8-22/h4-12,21,25H,13-20H2,1-3H3
• InChIKey: JPMXACHRPUNHOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-4-{[1-(2-phenylethyl)piperidin-4-yl]oxy}-N-(propan-2-yl)benzamide
• IUPAC Traditional name: N-isopropyl-N-(2-methoxyethyl)-4-{[1-(2-phenylethyl)piperidin-4-yl]oxy}benzamide
• Synonyms: N-isopropyl-N-(2-methoxyethyl)-4-{[1-(2-phenylethyl)-4-piperidinyl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.76635224
• LogD (pH = 7.4): 2.4263158
• Log P: 3.879915
• Molar Refractivity: 126.4226 cm^3
• Polarizability: 48.790127 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.97
• LOG S: -4.07
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 8