4-{[1-(2-methoxyacetyl)piperidin-4-yl]oxy}-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide

• ChemBase ID: 483348
• Molecular Formular: C24H30N2O5
• Molecular Mass: 426.5054
• Monoisotopic Mass: 426.21547207
• SMILES: N1(C(=O)COC)CCC(CC1)Oc1ccc(C(=O)N[C@@H](c2cc(OC)ccc2)C)cc1
• Canonical SMILES: COCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N[C@@H](c1cccc(c1)OC)C
• InChI: InChI=1S/C24H30N2O5/c1-17(19-5-4-6-22(15-19)30-3)25-24(28)18-7-9-20(10-8-18)31-21-11-13-26(14-12-21)23(27)16-29-2/h4-10,15,17,21H,11-14,16H2,1-3H3,(H,25,28)/t17-/m1/s1
• InChIKey: NSUYNSRBFAHURZ-QGZVFWFLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[1-(2-methoxyacetyl)piperidin-4-yl]oxy}-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
• IUPAC Traditional name: 4-{[1-(2-methoxyacetyl)piperidin-4-yl]oxy}-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
• Synonyms: 4-{[1-(methoxyacetyl)-4-piperidinyl]oxy}-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.115224
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.9528465
• LogD (pH = 7.4): 1.9528466
• Log P: 1.9528468
• Molar Refractivity: 118.1666 cm^3
• Polarizability: 45.543446 Å^3
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.24
• LOG S: -4.18
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 6