2-methoxy-2-phenyl-N-[1-(1-propylpiperidin-4-yl)-1H-pyrazol-5-yl]acetamide

• ChemBase ID: 578828
• Molecular Formular: C20H28N4O2
• Molecular Mass: 356.46192
• Monoisotopic Mass: 356.22122616
• SMILES: c1(n(ncc1)C1CCN(CC1)CCC)NC(=O)C(c1ccccc1)OC
• Canonical SMILES: CCCN1CCC(CC1)n1nccc1NC(=O)C(c1ccccc1)OC
• InChI: InChI=1S/C20H28N4O2/c1-3-13-23-14-10-17(11-15-23)24-18(9-12-21-24)22-20(25)19(26-2)16-7-5-4-6-8-16/h4-9,12,17,19H,3,10-11,13-15H2,1-2H3,(H,22,25)
• InChIKey: CHTRFCIJRSOYPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-2-phenyl-N-[1-(1-propylpiperidin-4-yl)-1H-pyrazol-5-yl]acetamide
• IUPAC Traditional name: 2-methoxy-2-phenyl-N-[2-(1-propylpiperidin-4-yl)pyrazol-3-yl]acetamide
• Synonyms: 2-methoxy-2-phenyl-N-[1-(1-propyl-4-piperidinyl)-1H-pyrazol-5-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.707848
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.91869676
• LogD (pH = 7.4): 0.528234
• Log P: 2.3965516
• Molar Refractivity: 114.6127 cm^3
• Polarizability: 39.58902 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.15
• LOG S: -4.06
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 4