N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide

• ChemBase ID: 696151
• Molecular Formular: C19H28N2O5
• Molecular Mass: 364.43602
• Monoisotopic Mass: 364.19982201
• SMILES: N1(C(=O)CO)CC(CCC(=O)NCc2c(cc(cc2)OC)OC)CCC1
• Canonical SMILES: OCC(=O)N1CCCC(C1)CCC(=O)NCc1ccc(cc1OC)OC
• InChI: InChI=1S/C19H28N2O5/c1-25-16-7-6-15(17(10-16)26-2)11-20-18(23)8-5-14-4-3-9-21(12-14)19(24)13-22/h6-7,10,14,22H,3-5,8-9,11-13H2,1-2H3,(H,20,23)
• InChIKey: VZRBAFSXMDFCLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide
• Synonyms: N-(2,4-dimethoxybenzyl)-3-(1-glycoloylpiperidin-3-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.624162
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.20991424
• LogD (pH = 7.4): 0.20991406
• Log P: 0.20991431
• Molar Refractivity: 97.7004 cm^3
• Polarizability: 37.96479 Å^3
• Polar Surface Area: 88.1 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.29
• LOG S: -3.42
• Polar Surface Area: 88.1 Å^2
• Rotatable Bonds: 8