N-(2-methoxyethyl)-3-{[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 693222
• Molecular Formular: C24H32N2O4
• Molecular Mass: 412.52188
• Monoisotopic Mass: 412.23620751
• SMILES: N1(CCC(Oc2cc(C(=O)NCCOC)ccc2)CC1)C(COc1ccccc1)C
• Canonical SMILES: COCCNC(=O)c1cccc(c1)OC1CCN(CC1)C(COc1ccccc1)C
• InChI: InChI=1S/C24H32N2O4/c1-19(18-29-21-8-4-3-5-9-21)26-14-11-22(12-15-26)30-23-10-6-7-20(17-23)24(27)25-13-16-28-2/h3-10,17,19,22H,11-16,18H2,1-2H3,(H,25,27)
• InChIKey: ZNXSZVFPCBIELQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-3-{[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-(2-methoxyethyl)-3-{[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxy}benzamide
• Synonyms: N-(2-methoxyethyl)-3-{[1-(1-methyl-2-phenoxyethyl)-4-piperidinyl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.56998
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.08484643
• LogD (pH = 7.4): 1.8418183
• Log P: 2.9303463
• Molar Refractivity: 117.9619 cm^3
• Polarizability: 45.85388 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.37
• LOG S: -4.58
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 9