4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide

• ChemBase ID: 639788
• Molecular Formular: C23H30N4O3
• Molecular Mass: 410.5093
• Monoisotopic Mass: 410.23179084
• SMILES: c1(c(n(nc1)C)C)C(NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)C
• Canonical SMILES: CC(c1cnn(c1C)C)NC(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C23H30N4O3/c1-15(21-14-24-26(3)16(21)2)25-22(28)17-6-8-19(9-7-17)30-20-10-12-27(13-11-20)23(29)18-4-5-18/h6-9,14-15,18,20H,4-5,10-13H2,1-3H3,(H,25,28)
• InChIKey: IJIXKHRNZOSLDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
• IUPAC Traditional name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
• Synonyms: 4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-[1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.039849
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6916282
• LogD (pH = 7.4): 1.6918542
• Log P: 1.6918571
• Molar Refractivity: 126.7023 cm^3
• Polarizability: 43.780655 Å^3
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.69
• LOG S: -5.59
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 6