N-(1-cycloheptylpiperidin-3-yl)-2-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetamide

• ChemBase ID: 643638
• Molecular Formular: C20H32N4O2
• Molecular Mass: 360.49368
• Monoisotopic Mass: 360.25252628
• SMILES: c1(c(=O)[nH]c(nc1C)C)CC(=O)NC1CN(C2CCCCCC2)CCC1
• Canonical SMILES: O=C(Cc1c(C)nc([nH]c1=O)C)NC1CCCN(C1)C1CCCCCC1
• InChI: InChI=1S/C20H32N4O2/c1-14-18(20(26)22-15(2)21-14)12-19(25)23-16-8-7-11-24(13-16)17-9-5-3-4-6-10-17/h16-17H,3-13H2,1-2H3,(H,23,25)(H,21,22,26)
• InChIKey: YRIRZAPNEOGHCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptylpiperidin-3-yl)-2-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetamide
• IUPAC Traditional name: N-(1-cycloheptylpiperidin-3-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
• Synonyms: N-(1-cycloheptyl-3-piperidinyl)-2-(2,4-dimethyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.06408
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.0350919
• LogD (pH = 7.4): -0.7793218
• Log P: 0.53237545
• Molar Refractivity: 103.3567 cm^3
• Polarizability: 39.81069 Å^3
• Polar Surface Area: 73.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.39
• LOG S: -3.87
• Polar Surface Area: 78.09 Å^2
• Rotatable Bonds: 4