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

• ChemBase ID: 505462
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: N1(c2ncccn2)CC(NC(=O)Cc2c(ccc(c2)OC)OC)CCC1
• Canonical SMILES: COc1ccc(cc1CC(=O)NC1CCCN(C1)c1ncccn1)OC
• InChI: InChI=1S/C19H24N4O3/c1-25-16-6-7-17(26-2)14(11-16)12-18(24)22-15-5-3-10-23(13-15)19-20-8-4-9-21-19/h4,6-9,11,15H,3,5,10,12-13H2,1-2H3,(H,22,24)
• InChIKey: CZRPNUPQCKOPHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.927216
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.8408188
• LogD (pH = 7.4): 1.8429625
• Log P: 1.8429899
• Molar Refractivity: 99.35 cm^3
• Polarizability: 37.690212 Å^3
• Polar Surface Area: 76.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.0
• LOG S: -4.11
• Polar Surface Area: 76.58 Å^2
• Rotatable Bonds: 4