4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzamide

• ChemBase ID: 422049
• Molecular Formular: C23H30N4O3
• Molecular Mass: 410.5093
• Monoisotopic Mass: 410.23179084
• SMILES: c1(cn(nc1)C)CN(C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)CC
• Canonical SMILES: CCN(C(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1)Cc1cnn(c1)C
• InChI: InChI=1S/C23H30N4O3/c1-3-26(16-17-14-24-25(2)15-17)22(28)19-6-8-20(9-7-19)30-21-10-12-27(13-11-21)23(29)18-4-5-18/h6-9,14-15,18,21H,3-5,10-13,16H2,1-2H3
• InChIKey: XPXWSSXSUIZEMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6561241
• LogD (pH = 7.4): 1.6562037
• Log P: 1.6562048
• Molar Refractivity: 126.7791 cm^3
• Polarizability: 43.85821 Å^3
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.67
• LOG S: -3.92
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 6