N,N-diethyl-2-[2-(5-fluoro-1H-1,3-benzodiazol-2-yl)piperidin-1-yl]acetamide

• ChemBase ID: 631297
• Molecular Formular: C18H25FN4O
• Molecular Mass: 332.4157032
• Monoisotopic Mass: 332.20123966
• SMILES: c1(nc2c([nH]1)ccc(c2)F)C1N(CC(=O)N(CC)CC)CCCC1
• Canonical SMILES: CCN(C(=O)CN1CCCCC1c1nc2c([nH]1)ccc(c2)F)CC
• InChI: InChI=1S/C18H25FN4O/c1-3-22(4-2)17(24)12-23-10-6-5-7-16(23)18-20-14-9-8-13(19)11-15(14)21-18/h8-9,11,16H,3-7,10,12H2,1-2H3,(H,20,21)
• InChIKey: YXQYYCRDIKEZJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2-[2-(5-fluoro-1H-1,3-benzodiazol-2-yl)piperidin-1-yl]acetamide
• IUPAC Traditional name: N,N-diethyl-2-[2-(5-fluoro-1H-1,3-benzodiazol-2-yl)piperidin-1-yl]acetamide
• Synonyms: N,N-diethyl-2-[2-(5-fluoro-1H-benzimidazol-2-yl)-1-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.477229
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4711965
• LogD (pH = 7.4): 2.2803059
• Log P: 2.3111002
• Molar Refractivity: 92.1393 cm^3
• Polarizability: 36.553104 Å^3
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.9
• LOG S: -4.1
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 5