N-(3-fluoro-4-methylphenyl)-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide

• ChemBase ID: 828909
• Molecular Formular: C17H24FN3O
• Molecular Mass: 305.3903632
• Monoisotopic Mass: 305.19034062
• SMILES: N1(C(=O)Nc2cc(c(cc2)C)F)CC(N2C(C)CCCC2)C1
• Canonical SMILES: O=C(N1CC(C1)N1CCCCC1C)Nc1ccc(c(c1)F)C
• InChI: InChI=1S/C17H24FN3O/c1-12-6-7-14(9-16(12)18)19-17(22)20-10-15(11-20)21-8-4-3-5-13(21)2/h6-7,9,13,15H,3-5,8,10-11H2,1-2H3,(H,19,22)
• InChIKey: WGYVAWVWELTXON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-fluoro-4-methylphenyl)-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide
• IUPAC Traditional name: N-(3-fluoro-4-methylphenyl)-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide
• Synonyms: N-(3-fluoro-4-methylphenyl)-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.237407
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6764422
• LogD (pH = 7.4): 2.4418316
• Log P: 3.1547139
• Molar Refractivity: 86.9298 cm^3
• Polarizability: 32.571384 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.07
• LOG S: -4.05
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 2