4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylbenzamide

• ChemBase ID: 498141
• Molecular Formular: C23H30N4O3
• Molecular Mass: 410.5093
• Monoisotopic Mass: 410.23179084
• SMILES: c1(c(nn(c1)C)C)CN(C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)C
• Canonical SMILES: CN(C(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1)Cc1cn(nc1C)C
• InChI: InChI=1S/C23H30N4O3/c1-16-19(15-26(3)24-16)14-25(2)22(28)17-6-8-20(9-7-17)30-21-10-12-27(13-11-21)23(29)18-4-5-18/h6-9,15,18,21H,4-5,10-14H2,1-3H3
• InChIKey: FALYTGGEQCNAPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylbenzamide
• IUPAC Traditional name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzamide
• Synonyms: 4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4300611
• LogD (pH = 7.4): 1.4307581
• Log P: 1.430767
• Molar Refractivity: 126.622 cm^3
• Polarizability: 43.779385 Å^3
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.36
• LOG S: -4.21
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 6