2-{2-[1-(5-phenylpentanoyl)piperidin-4-yl]-1H-imidazol-1-yl}acetamide

• ChemBase ID: 546886
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: n1(c(ncc1)C1CCN(C(=O)CCCCc2ccccc2)CC1)CC(=O)N
• Canonical SMILES: NC(=O)Cn1ccnc1C1CCN(CC1)C(=O)CCCCc1ccccc1
• InChI: InChI=1S/C21H28N4O2/c22-19(26)16-25-15-12-23-21(25)18-10-13-24(14-11-18)20(27)9-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,12,15,18H,4-5,8-11,13-14,16H2,(H2,22,26)
• InChIKey: WXAHQFFBLRTRCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[1-(5-phenylpentanoyl)piperidin-4-yl]-1H-imidazol-1-yl}acetamide
• IUPAC Traditional name: 2-{2-[1-(5-phenylpentanoyl)piperidin-4-yl]imidazol-1-yl}acetamide
• Synonyms: 2-{2-[1-(5-phenylpentanoyl)-4-piperidinyl]-1H-imidazol-1-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.609359
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1105287
• LogD (pH = 7.4): 1.7280035
• Log P: 1.7541232
• Molar Refractivity: 104.7794 cm^3
• Polarizability: 40.445507 Å^3
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.64
• LOG S: -3.29
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 8