3-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide

• ChemBase ID: 615984
• Molecular Formular: C24H30N2O4
• Molecular Mass: 410.506
• Monoisotopic Mass: 410.22055745
• SMILES: C(=O)(N1CCC(CC1)CCC(=O)Nc1cc(OC)ccc1)C(c1ccccc1)OC
• Canonical SMILES: COC(C(=O)N1CCC(CC1)CCC(=O)Nc1cccc(c1)OC)c1ccccc1
• InChI: InChI=1S/C24H30N2O4/c1-29-21-10-6-9-20(17-21)25-22(27)12-11-18-13-15-26(16-14-18)24(28)23(30-2)19-7-4-3-5-8-19/h3-10,17-18,23H,11-16H2,1-2H3,(H,25,27)
• InChIKey: KHSZRPQTVSNHRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
• IUPAC Traditional name: 3-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
• Synonyms: N-(3-methoxyphenyl)-3-{1-[methoxy(phenyl)acetyl]-4-piperidinyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.785154
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.1622832
• LogD (pH = 7.4): 3.162283
• Log P: 3.1622832
• Molar Refractivity: 117.3691 cm^3
• Polarizability: 45.060215 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.56
• LOG S: -4.39
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6