N-{[1-(3-cyclopentylpropyl)piperidin-3-yl]methyl}-2,3-dimethoxybenzamide

• ChemBase ID: 660554
• Molecular Formular: C23H36N2O3
• Molecular Mass: 388.54354
• Monoisotopic Mass: 388.27259302
• SMILES: c1(C(=O)NCC2CN(CCCC3CCCC3)CCC2)c(c(OC)ccc1)OC
• Canonical SMILES: COc1c(OC)cccc1C(=O)NCC1CCCN(C1)CCCC1CCCC1
• InChI: InChI=1S/C23H36N2O3/c1-27-21-13-5-12-20(22(21)28-2)23(26)24-16-19-11-7-15-25(17-19)14-6-10-18-8-3-4-9-18/h5,12-13,18-19H,3-4,6-11,14-17H2,1-2H3,(H,24,26)
• InChIKey: BGGRXSAZAYGJNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(3-cyclopentylpropyl)piperidin-3-yl]methyl}-2,3-dimethoxybenzamide
• IUPAC Traditional name: N-{[1-(3-cyclopentylpropyl)piperidin-3-yl]methyl}-2,3-dimethoxybenzamide
• Synonyms: N-{[1-(3-cyclopentylpropyl)-3-piperidinyl]methyl}-2,3-dimethoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.8212
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.36325124
• LogD (pH = 7.4): 1.6670805
• Log P: 3.7420814
• Molar Refractivity: 113.5528 cm^3
• Polarizability: 44.049114 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.33
• LOG S: -4.79
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7