4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylbenzamide

• ChemBase ID: 343429
• Molecular Formular: C24H32N4O3
• Molecular Mass: 424.53588
• Monoisotopic Mass: 424.2474409
• SMILES: c1(c([nH]nc1C)C)CCN(C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)C
• Canonical SMILES: O=C(c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1)N(CCc1c(C)n[nH]c1C)C
• InChI: InChI=1S/C24H32N4O3/c1-16-22(17(2)26-25-16)12-13-27(3)23(29)18-6-8-20(9-7-18)31-21-10-14-28(15-11-21)24(30)19-4-5-19/h6-9,19,21H,4-5,10-15H2,1-3H3,(H,25,26)
• InChIKey: DTTURFREXGPJRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylbenzamide
• IUPAC Traditional name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylbenzamide
• Synonyms: 4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.186694
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7919203
• LogD (pH = 7.4): 1.7952706
• Log P: 1.7953135
• Molar Refractivity: 121.3107 cm^3
• Polarizability: 45.62094 Å^3
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.24
• LOG S: -5.12
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 7