2,6-dimethoxy-N-[1-(3-phenylpropyl)piperidin-3-yl]benzamide

• ChemBase ID: 575640
• Molecular Formular: C23H30N2O3
• Molecular Mass: 382.4959
• Monoisotopic Mass: 382.22564283
• SMILES: C(=O)(c1c(OC)cccc1OC)NC1CN(CCCc2ccccc2)CCC1
• Canonical SMILES: COc1cccc(c1C(=O)NC1CCCN(C1)CCCc1ccccc1)OC
• InChI: InChI=1S/C23H30N2O3/c1-27-20-13-6-14-21(28-2)22(20)23(26)24-19-12-8-16-25(17-19)15-7-11-18-9-4-3-5-10-18/h3-6,9-10,13-14,19H,7-8,11-12,15-17H2,1-2H3,(H,24,26)
• InChIKey: NVLFRMGEUWGRDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethoxy-N-[1-(3-phenylpropyl)piperidin-3-yl]benzamide
• IUPAC Traditional name: 2,6-dimethoxy-N-[1-(3-phenylpropyl)piperidin-3-yl]benzamide
• Synonyms: 2,6-dimethoxy-N-[1-(3-phenylpropyl)-3-piperidinyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.481904
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.90457684
• LogD (pH = 7.4): 2.6720939
• Log P: 3.6741316
• Molar Refractivity: 112.1584 cm^3
• Polarizability: 43.24953 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.28
• LOG S: -4.68
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6