2-(4-{[(4-cyclohexylphenyl)carbamoyl]amino}piperidin-1-yl)acetamide

• ChemBase ID: 680049
• Molecular Formular: C20H30N4O2
• Molecular Mass: 358.4778
• Monoisotopic Mass: 358.23687622
• SMILES: C(=O)(Nc1ccc(cc1)C1CCCCC1)NC1CCN(CC(=O)N)CC1
• Canonical SMILES: O=C(Nc1ccc(cc1)C1CCCCC1)NC1CCN(CC1)CC(=O)N
• InChI: InChI=1S/C20H30N4O2/c21-19(25)14-24-12-10-18(11-13-24)23-20(26)22-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-9,15,18H,1-5,10-14H2,(H2,21,25)(H2,22,23,26)
• InChIKey: ZJNHYXAACWZFCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{[(4-cyclohexylphenyl)carbamoyl]amino}piperidin-1-yl)acetamide
• IUPAC Traditional name: 2-(4-{[(4-cyclohexylphenyl)carbamoyl]amino}piperidin-1-yl)acetamide
• Synonyms: 2-[4-({[(4-cyclohexylphenyl)amino]carbonyl}amino)piperidin-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.852967
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.4388028
• LogD (pH = 7.4): 1.7782664
• Log P: 1.9139228
• Molar Refractivity: 104.0439 cm^3
• Polarizability: 39.640636 Å^3
• Polar Surface Area: 87.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.91
• LOG S: -4.3
• Polar Surface Area: 87.46 Å^2
• Rotatable Bonds: 5