3,5-dimethoxy-N-({1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl}methyl)benzamide

• ChemBase ID: 595368
• Molecular Formular: C19H26N4O4
• Molecular Mass: 374.43414
• Monoisotopic Mass: 374.19540533
• SMILES: c1(nnc(o1)C)CN1CC(CNC(=O)c2cc(cc(c2)OC)OC)CCC1
• Canonical SMILES: COc1cc(OC)cc(c1)C(=O)NCC1CCCN(C1)Cc1nnc(o1)C
• InChI: InChI=1S/C19H26N4O4/c1-13-21-22-18(27-13)12-23-6-4-5-14(11-23)10-20-19(24)15-7-16(25-2)9-17(8-15)26-3/h7-9,14H,4-6,10-12H2,1-3H3,(H,20,24)
• InChIKey: NILWSCFCFWXJOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethoxy-N-({1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl}methyl)benzamide
• IUPAC Traditional name: 3,5-dimethoxy-N-({1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl}methyl)benzamide
• Synonyms: 3,5-dimethoxy-N-({1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl}methyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.219594
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.2898176
• LogD (pH = 7.4): 0.033712022
• Log P: 0.16332728
• Molar Refractivity: 102.4357 cm^3
• Polarizability: 38.4002 Å^3
• Polar Surface Area: 89.72 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: 0.53
• LOG S: -2.38
• Polar Surface Area: 89.72 Å^2
• Rotatable Bonds: 7