N-({1-[4-(1H-imidazol-1-yl)butanoyl]piperidin-4-yl}methyl)acetamide

• ChemBase ID: 465016
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: N1(C(=O)CCCn2cncc2)CCC(CNC(=O)C)CC1
• Canonical SMILES: CC(=O)NCC1CCN(CC1)C(=O)CCCn1cncc1
• InChI: InChI=1S/C15H24N4O2/c1-13(20)17-11-14-4-8-19(9-5-14)15(21)3-2-7-18-10-6-16-12-18/h6,10,12,14H,2-5,7-9,11H2,1H3,(H,17,20)
• InChIKey: RAQFDPICFALDQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[4-(1H-imidazol-1-yl)butanoyl]piperidin-4-yl}methyl)acetamide
• IUPAC Traditional name: N-({1-[4-(imidazol-1-yl)butanoyl]piperidin-4-yl}methyl)acetamide
• Synonyms: N-({1-[4-(1H-imidazol-1-yl)butanoyl]-4-piperidinyl}methyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.910227
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3197207
• LogD (pH = 7.4): -0.8555545
• Log P: -0.78685623
• Molar Refractivity: 80.7077 cm^3
• Polarizability: 30.950174 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.68
• LOG S: -2.06
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 6