3-{[1-(cyclohexylmethyl)piperidin-4-yl]oxy}-N-(2-methoxyethyl)benzamide

• ChemBase ID: 350683
• Molecular Formular: C22H34N2O3
• Molecular Mass: 374.51696
• Monoisotopic Mass: 374.25694296
• SMILES: C(=O)(c1cc(OC2CCN(CC3CCCCC3)CC2)ccc1)NCCOC
• Canonical SMILES: COCCNC(=O)c1cccc(c1)OC1CCN(CC1)CC1CCCCC1
• InChI: InChI=1S/C22H34N2O3/c1-26-15-12-23-22(25)19-8-5-9-21(16-19)27-20-10-13-24(14-11-20)17-18-6-3-2-4-7-18/h5,8-9,16,18,20H,2-4,6-7,10-15,17H2,1H3,(H,23,25)
• InChIKey: AIBFCGUEOPSRNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[1-(cyclohexylmethyl)piperidin-4-yl]oxy}-N-(2-methoxyethyl)benzamide
• IUPAC Traditional name: 3-{[1-(cyclohexylmethyl)piperidin-4-yl]oxy}-N-(2-methoxyethyl)benzamide
• Synonyms: 3-{[1-(cyclohexylmethyl)-4-piperidinyl]oxy}-N-(2-methoxyethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.569985
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.43507197
• LogD (pH = 7.4): 0.7254536
• Log P: 2.9840047
• Molar Refractivity: 108.7359 cm^3
• Polarizability: 42.219296 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: 3.66
• LOG S: -4.55
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7