4-{[1-(2-methoxyacetyl)piperidin-4-yl]oxy}-N-[(4-methyl-1H-imidazol-2-yl)methyl]benzamide

• ChemBase ID: 564324
• Molecular Formular: C20H26N4O4
• Molecular Mass: 386.44484
• Monoisotopic Mass: 386.19540533
• SMILES: n1c([nH]cc1C)CNC(=O)c1ccc(OC2CCN(C(=O)COC)CC2)cc1
• Canonical SMILES: COCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCc1[nH]cc(n1)C
• InChI: InChI=1S/C20H26N4O4/c1-14-11-21-18(23-14)12-22-20(26)15-3-5-16(6-4-15)28-17-7-9-24(10-8-17)19(25)13-27-2/h3-6,11,17H,7-10,12-13H2,1-2H3,(H,21,23)(H,22,26)
• InChIKey: DCWVLRQWBCDNOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[1-(2-methoxyacetyl)piperidin-4-yl]oxy}-N-[(4-methyl-1H-imidazol-2-yl)methyl]benzamide
• IUPAC Traditional name: 4-{[1-(2-methoxyacetyl)piperidin-4-yl]oxy}-N-[(4-methyl-1H-imidazol-2-yl)methyl]benzamide
• Synonyms: 4-{[1-(methoxyacetyl)-4-piperidinyl]oxy}-N-[(4-methyl-1H-imidazol-2-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.961381
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.8522284
• LogD (pH = 7.4): -0.23944229
• Log P: -0.21999045
• Molar Refractivity: 104.1579 cm^3
• Polarizability: 39.799225 Å^3
• Polar Surface Area: 96.55 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.11
• LOG S: -3.63
• Polar Surface Area: 96.55 Å^2
• Rotatable Bonds: 6