4-methoxy-N-{1-[1-(2-methoxyacetyl)piperidin-4-yl]-1H-pyrazol-5-yl}benzamide

• ChemBase ID: 430891
• Molecular Formular: C19H24N4O4
• Molecular Mass: 372.41826
• Monoisotopic Mass: 372.17975527
• SMILES: c1(n(ncc1)C1CCN(C(=O)COC)CC1)NC(=O)c1ccc(cc1)OC
• Canonical SMILES: COCC(=O)N1CCC(CC1)n1nccc1NC(=O)c1ccc(cc1)OC
• InChI: InChI=1S/C19H24N4O4/c1-26-13-18(24)22-11-8-15(9-12-22)23-17(7-10-20-23)21-19(25)14-3-5-16(27-2)6-4-14/h3-7,10,15H,8-9,11-13H2,1-2H3,(H,21,25)
• InChIKey: ILVFSKBRBMSLKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-{1-[1-(2-methoxyacetyl)piperidin-4-yl]-1H-pyrazol-5-yl}benzamide
• IUPAC Traditional name: 4-methoxy-N-{2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl}benzamide
• Synonyms: 4-methoxy-N-{1-[1-(methoxyacetyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.8144455
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.504119
• LogD (pH = 7.4): 0.5041883
• Log P: 0.5041894
• Molar Refractivity: 112.3871 cm^3
• Polarizability: 38.21229 Å^3
• Polar Surface Area: 85.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.25
• LOG S: -3.24
• Polar Surface Area: 85.69 Å^2
• Rotatable Bonds: 4