4-[(1-cyclopentylpiperidin-4-yl)oxy]-3-methoxy-N-methylbenzamide

• ChemBase ID: 563829
• Molecular Formular: C19H28N2O3
• Molecular Mass: 332.43722
• Monoisotopic Mass: 332.20999277
• SMILES: N1(CCC(Oc2c(cc(C(=O)NC)cc2)OC)CC1)C1CCCC1
• Canonical SMILES: CNC(=O)c1ccc(c(c1)OC)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C19H28N2O3/c1-20-19(22)14-7-8-17(18(13-14)23-2)24-16-9-11-21(12-10-16)15-5-3-4-6-15/h7-8,13,15-16H,3-6,9-12H2,1-2H3,(H,20,22)
• InChIKey: SDUMXBPKWDWDDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopentylpiperidin-4-yl)oxy]-3-methoxy-N-methylbenzamide
• IUPAC Traditional name: 4-[(1-cyclopentylpiperidin-4-yl)oxy]-3-methoxy-N-methylbenzamide
• Synonyms: 4-[(1-cyclopentylpiperidin-4-yl)oxy]-3-methoxy-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.612283
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2492261
• LogD (pH = 7.4): 0.097309634
• Log P: 2.1137276
• Molar Refractivity: 94.8238 cm^3
• Polarizability: 36.6809 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.44
• LOG S: -3.71
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 5