3-chloro-N-(3-methoxypropyl)-2-methyl-N-(1-methylpiperidin-4-yl)benzamide

• ChemBase ID: 340138
• Molecular Formular: C18H27ClN2O2
• Molecular Mass: 338.87218
• Monoisotopic Mass: 338.17610579
• SMILES: C(=O)(c1c(c(Cl)ccc1)C)N(C1CCN(CC1)C)CCCOC
• Canonical SMILES: COCCCN(C(=O)c1cccc(c1C)Cl)C1CCN(CC1)C
• InChI: InChI=1S/C18H27ClN2O2/c1-14-16(6-4-7-17(14)19)18(22)21(10-5-13-23-3)15-8-11-20(2)12-9-15/h4,6-7,15H,5,8-13H2,1-3H3
• InChIKey: QFTIESJZBZKQKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-(3-methoxypropyl)-2-methyl-N-(1-methylpiperidin-4-yl)benzamide
• IUPAC Traditional name: 3-chloro-N-(3-methoxypropyl)-2-methyl-N-(1-methylpiperidin-4-yl)benzamide
• Synonyms: 3-chloro-N-(3-methoxypropyl)-2-methyl-N-(1-methyl-4-piperidinyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.40088627
• LogD (pH = 7.4): 1.3587886
• Log P: 2.4284947
• Molar Refractivity: 96.1358 cm^3
• Polarizability: 36.6978 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.51
• LOG S: -3.81
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6