4-{[1-(2-methoxyacetyl)piperidin-4-yl]oxy}-N-[3-(pyridin-3-yloxy)propyl]benzamide

• ChemBase ID: 512103
• Molecular Formular: C23H29N3O5
• Molecular Mass: 427.49346
• Monoisotopic Mass: 427.21072104
• SMILES: N1(C(=O)COC)CCC(CC1)Oc1ccc(C(=O)NCCCOc2cnccc2)cc1
• Canonical SMILES: COCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCCOc1cccnc1
• InChI: InChI=1S/C23H29N3O5/c1-29-17-22(27)26-13-9-20(10-14-26)31-19-7-5-18(6-8-19)23(28)25-12-3-15-30-21-4-2-11-24-16-21/h2,4-8,11,16,20H,3,9-10,12-15,17H2,1H3,(H,25,28)
• InChIKey: WFDGXVRIODOZSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[1-(2-methoxyacetyl)piperidin-4-yl]oxy}-N-[3-(pyridin-3-yloxy)propyl]benzamide
• IUPAC Traditional name: 4-{[1-(2-methoxyacetyl)piperidin-4-yl]oxy}-N-[3-(pyridin-3-yloxy)propyl]benzamide
• Synonyms: 4-{[1-(methoxyacetyl)-4-piperidinyl]oxy}-N-[3-(3-pyridinyloxy)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.063163
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.38594857
• LogD (pH = 7.4): 0.45483434
• Log P: 0.45580676
• Molar Refractivity: 115.9327 cm^3
• Polarizability: 44.670124 Å^3
• Polar Surface Area: 89.99 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.43
• LOG S: -3.77
• Polar Surface Area: 89.99 Å^2
• Rotatable Bonds: 9