2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N,N-dimethylbenzamide

• ChemBase ID: 598338
• Molecular Formular: C20H30N2O3
• Molecular Mass: 346.4638
• Monoisotopic Mass: 346.22564283
• SMILES: c1(C(=O)N(C)C)c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)N(C)C)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C20H30N2O3/c1-21(2)20(23)18-14-17(24-3)8-9-19(18)25-16-10-12-22(13-11-16)15-6-4-5-7-15/h8-9,14-16H,4-7,10-13H2,1-3H3
• InChIKey: LMYBIUCVXSSEAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N,N-dimethylbenzamide
• IUPAC Traditional name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N,N-dimethylbenzamide
• Synonyms: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N,N-dimethylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0353988
• LogD (pH = 7.4): 0.28534523
• Log P: 2.3374038
• Molar Refractivity: 99.7205 cm^3
• Polarizability: 38.521564 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.2
• LOG S: -4.46
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5