N-{1-[1-(1-carbamoylethyl)piperidin-4-yl]-1H-pyrazol-5-yl}-2-methoxybenzamide

• ChemBase ID: 845547
• Molecular Formular: C19H25N5O3
• Molecular Mass: 371.4335
• Monoisotopic Mass: 371.19573969
• SMILES: c1(n(ncc1)C1CCN(C(C(=O)N)C)CC1)NC(=O)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(=O)Nc1ccnn1C1CCN(CC1)C(C(=O)N)C
• InChI: InChI=1S/C19H25N5O3/c1-13(18(20)25)23-11-8-14(9-12-23)24-17(7-10-21-24)22-19(26)15-5-3-4-6-16(15)27-2/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H2,20,25)(H,22,26)
• InChIKey: DGWZLAKMBAWCRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[1-(1-carbamoylethyl)piperidin-4-yl]-1H-pyrazol-5-yl}-2-methoxybenzamide
• IUPAC Traditional name: N-{2-[1-(1-carbamoylethyl)piperidin-4-yl]pyrazol-3-yl}-2-methoxybenzamide
• Synonyms: N-{1-[1-(2-amino-1-methyl-2-oxoethyl)piperidin-4-yl]-1H-pyrazol-5-yl}-2-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.290259
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.2435769
• LogD (pH = 7.4): 0.36902806
• Log P: 0.6912215
• Molar Refractivity: 114.0632 cm^3
• Polarizability: 38.947636 Å^3
• Polar Surface Area: 102.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.6
• LOG S: -2.42
• Polar Surface Area: 102.48 Å^2
• Rotatable Bonds: 6