N-(5-acetamido-2-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide

• ChemBase ID: 773014
• Molecular Formular: C18H22FN5O3
• Molecular Mass: 375.3973832
• Monoisotopic Mass: 375.17066781
• SMILES: C(=O)(N1CCC(Cc2nc(no2)C)CC1)Nc1cc(NC(=O)C)ccc1F
• Canonical SMILES: CC(=O)Nc1ccc(c(c1)NC(=O)N1CCC(CC1)Cc1onc(n1)C)F
• InChI: InChI=1S/C18H22FN5O3/c1-11-20-17(27-23-11)9-13-5-7-24(8-6-13)18(26)22-16-10-14(21-12(2)25)3-4-15(16)19/h3-4,10,13H,5-9H2,1-2H3,(H,21,25)(H,22,26)
• InChIKey: NNMPKXMWYWOJNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-acetamido-2-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
• IUPAC Traditional name: N-(5-acetamido-2-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
• Synonyms: N-[5-(acetylamino)-2-fluorophenyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.310509
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9310701
• LogD (pH = 7.4): 1.9310197
• Log P: 1.9310712
• Molar Refractivity: 100.523 cm^3
• Polarizability: 35.89944 Å^3
• Polar Surface Area: 100.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.94
• LOG S: -2.74
• Polar Surface Area: 100.36 Å^2
• Rotatable Bonds: 4