N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]-2-(4-phenylpiperidin-1-yl)acetamide

• ChemBase ID: 591360
• Molecular Formular: C20H26N4O2
• Molecular Mass: 354.44604
• Monoisotopic Mass: 354.20557609
• SMILES: n1c(cc(nc1C)CCNC(=O)CN1CCC(CC1)c1ccccc1)O
• Canonical SMILES: O=C(CN1CCC(CC1)c1ccccc1)NCCc1cc(O)nc(n1)C
• InChI: InChI=1S/C20H26N4O2/c1-15-22-18(13-19(25)23-15)7-10-21-20(26)14-24-11-8-17(9-12-24)16-5-3-2-4-6-16/h2-6,13,17H,7-12,14H2,1H3,(H,21,26)(H,22,23,25)
• InChIKey: YHWZFVOTOGRHKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]-2-(4-phenylpiperidin-1-yl)acetamide
• IUPAC Traditional name: N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]-2-(4-phenylpiperidin-1-yl)acetamide
• Synonyms: N-[2-(6-hydroxy-2-methyl-4-pyrimidinyl)ethyl]-2-(4-phenyl-1-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.008899
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.29216537
• LogD (pH = 7.4): 1.9809898
• Log P: 2.4117634
• Molar Refractivity: 101.9501 cm^3
• Polarizability: 39.005764 Å^3
• Polar Surface Area: 78.35 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: 0.9
• LOG S: -2.55
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 6