N-(3,5-dimethoxyphenyl)-2-[4-(pyrimidin-2-yloxy)piperidin-1-yl]acetamide

• ChemBase ID: 433503
• Molecular Formular: C19H24N4O4
• Molecular Mass: 372.41826
• Monoisotopic Mass: 372.17975527
• SMILES: c1(ncccn1)OC1CCN(CC(=O)Nc2cc(cc(c2)OC)OC)CC1
• Canonical SMILES: COc1cc(NC(=O)CN2CCC(CC2)Oc2ncccn2)cc(c1)OC
• InChI: InChI=1S/C19H24N4O4/c1-25-16-10-14(11-17(12-16)26-2)22-18(24)13-23-8-4-15(5-9-23)27-19-20-6-3-7-21-19/h3,6-7,10-12,15H,4-5,8-9,13H2,1-2H3,(H,22,24)
• InChIKey: VKUNRMOGGQJYOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,5-dimethoxyphenyl)-2-[4-(pyrimidin-2-yloxy)piperidin-1-yl]acetamide
• IUPAC Traditional name: N-(3,5-dimethoxyphenyl)-2-[4-(pyrimidin-2-yloxy)piperidin-1-yl]acetamide
• Synonyms: N-(3,5-dimethoxyphenyl)-2-[4-(pyrimidin-2-yloxy)piperidin-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.83134
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 0.33938283
• LogD (pH = 7.4): 1.1620725
• Log P: 1.194599
• Molar Refractivity: 101.8709 cm^3
• Polarizability: 38.767433 Å^3
• Polar Surface Area: 85.81 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.92
• LOG S: -3.56
• Polar Surface Area: 85.81 Å^2
• Rotatable Bonds: 7