4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[3-(1H-pyrazol-1-yl)propyl]benzamide

• ChemBase ID: 732008
• Molecular Formular: C22H28N4O3
• Molecular Mass: 396.48272
• Monoisotopic Mass: 396.21614078
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)NCCCn2nccc2)cc1)C1CC1
• Canonical SMILES: O=C(c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1)NCCCn1cccn1
• InChI: InChI=1S/C22H28N4O3/c27-21(23-11-1-13-26-14-2-12-24-26)17-5-7-19(8-6-17)29-20-9-15-25(16-10-20)22(28)18-3-4-18/h2,5-8,12,14,18,20H,1,3-4,9-11,13,15-16H2,(H,23,27)
• InChIKey: FHNSOMFJTMKSNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[3-(1H-pyrazol-1-yl)propyl]benzamide
• IUPAC Traditional name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[3-(pyrazol-1-yl)propyl]benzamide
• Synonyms: 4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-[3-(1H-pyrazol-1-yl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.063524
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2127916
• LogD (pH = 7.4): 1.2129265
• Log P: 1.2129283
• Molar Refractivity: 121.4756 cm^3
• Polarizability: 42.103424 Å^3
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.69
• LOG S: -5.07
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 8