N-({1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl}methyl)-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

• ChemBase ID: 389621
• Molecular Formular: C20H27FN4O2
• Molecular Mass: 374.4523832
• Monoisotopic Mass: 374.21180434
• SMILES: c1(CC(=O)N(CC2CN(CCc3c(F)cccc3)CCC2)C)nonc1C
• Canonical SMILES: O=C(N(CC1CCCN(C1)CCc1ccccc1F)C)Cc1nonc1C
• InChI: InChI=1S/C20H27FN4O2/c1-15-19(23-27-22-15)12-20(26)24(2)13-16-6-5-10-25(14-16)11-9-17-7-3-4-8-18(17)21/h3-4,7-8,16H,5-6,9-14H2,1-2H3
• InChIKey: LZICSXBMPUAJDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl}methyl)-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
• IUPAC Traditional name: N-({1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl}methyl)-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
• Synonyms: N-({1-[2-(2-fluorophenyl)ethyl]-3-piperidinyl}methyl)-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.9467866
• LogD (pH = 7.4): 0.7727159
• Log P: 2.0422692
• Molar Refractivity: 103.3256 cm^3
• Polarizability: 38.676174 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.95
• LOG S: -2.51
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 7