2-methoxy-N-(1-{1-[(3-methylphenyl)methyl]piperidin-4-yl}-1H-pyrazol-5-yl)-2-phenylacetamide

• ChemBase ID: 640133
• Molecular Formular: C25H30N4O2
• Molecular Mass: 418.5313
• Monoisotopic Mass: 418.23687622
• SMILES: c1(n(ncc1)C1CCN(Cc2cc(ccc2)C)CC1)NC(=O)C(c1ccccc1)OC
• Canonical SMILES: COC(C(=O)Nc1ccnn1C1CCN(CC1)Cc1cccc(c1)C)c1ccccc1
• InChI: InChI=1S/C25H30N4O2/c1-19-7-6-8-20(17-19)18-28-15-12-22(13-16-28)29-23(11-14-26-29)27-25(30)24(31-2)21-9-4-3-5-10-21/h3-11,14,17,22,24H,12-13,15-16,18H2,1-2H3,(H,27,30)
• InChIKey: SOPAXWYJIPJUCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.707741
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.66634876
• LogD (pH = 7.4): 2.3409371
• Log P: 3.7551157
• Molar Refractivity: 134.9939 cm^3
• Polarizability: 47.267567 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.38
• LOG S: -5.46
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6