N-(1H-1,3-benzodiazol-2-yl)-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]acetamide

• ChemBase ID: 387014
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: c1(nc2c([nH]1)cccc2)NC(=O)CN1CC(OCc2ncccc2)CCC1
• Canonical SMILES: O=C(Nc1nc2c([nH]1)cccc2)CN1CCCC(C1)OCc1ccccn1
• InChI: InChI=1S/C20H23N5O2/c26-19(24-20-22-17-8-1-2-9-18(17)23-20)13-25-11-5-7-16(12-25)27-14-15-6-3-4-10-21-15/h1-4,6,8-10,16H,5,7,11-14H2,(H2,22,23,24,26)
• InChIKey: IYSMEGGGSKJTGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-1,3-benzodiazol-2-yl)-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]acetamide
• IUPAC Traditional name: N-(1H-1,3-benzodiazol-2-yl)-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]acetamide
• Synonyms: N-1H-benzimidazol-2-yl-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.554056
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.82608896
• LogD (pH = 7.4): 1.992732
• Log P: 2.0798244
• Molar Refractivity: 102.922 cm^3
• Polarizability: 40.762 Å^3
• Polar Surface Area: 83.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.66
• LOG S: -2.83
• Polar Surface Area: 83.14 Å^2
• Rotatable Bonds: 6