N-(1-cycloheptylpiperidin-3-yl)-3,4-dimethoxybenzamide

• ChemBase ID: 446831
• Molecular Formular: C21H32N2O3
• Molecular Mass: 360.49038
• Monoisotopic Mass: 360.24129289
• SMILES: C(=O)(c1cc(c(cc1)OC)OC)NC1CN(C2CCCCCC2)CCC1
• Canonical SMILES: COc1cc(ccc1OC)C(=O)NC1CCCN(C1)C1CCCCCC1
• InChI: InChI=1S/C21H32N2O3/c1-25-19-12-11-16(14-20(19)26-2)21(24)22-17-8-7-13-23(15-17)18-9-5-3-4-6-10-18/h11-12,14,17-18H,3-10,13,15H2,1-2H3,(H,22,24)
• InChIKey: COEOPXZAMLBOPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptylpiperidin-3-yl)-3,4-dimethoxybenzamide
• IUPAC Traditional name: N-(1-cycloheptylpiperidin-3-yl)-3,4-dimethoxybenzamide
• Synonyms: N-(1-cycloheptyl-3-piperidinyl)-3,4-dimethoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.797287
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.11565588
• LogD (pH = 7.4): 1.5050149
• Log P: 3.4602678
• Molar Refractivity: 103.805 cm^3
• Polarizability: 40.362816 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: 4.09
• LOG S: -3.88
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 3