N-[(1-cyclobutylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide

• ChemBase ID: 637825
• Molecular Formular: C19H28N2O3
• Molecular Mass: 332.43722
• Monoisotopic Mass: 332.20999277
• SMILES: c1(C(=O)NCC2CN(C3CCC3)CCC2)c(c(OC)ccc1)OC
• Canonical SMILES: COc1c(OC)cccc1C(=O)NCC1CCCN(C1)C1CCC1
• InChI: InChI=1S/C19H28N2O3/c1-23-17-10-4-9-16(18(17)24-2)19(22)20-12-14-6-5-11-21(13-14)15-7-3-8-15/h4,9-10,14-15H,3,5-8,11-13H2,1-2H3,(H,20,22)
• InChIKey: OMHUPRMWKUWBAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclobutylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide
• IUPAC Traditional name: N-[(1-cyclobutylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide
• Synonyms: N-[(1-cyclobutyl-3-piperidinyl)methyl]-2,3-dimethoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.821197
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1861302
• LogD (pH = 7.4): 0.17392504
• Log P: 2.1713164
• Molar Refractivity: 94.942 cm^3
• Polarizability: 36.683887 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.0
• LOG S: -3.42
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 4