2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-(2-methylprop-2-en-1-yl)benzamide

• ChemBase ID: 590910
• Molecular Formular: C22H32N2O3
• Molecular Mass: 372.50108
• Monoisotopic Mass: 372.24129289
• SMILES: c1(C(=O)NCC(=C)C)c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)NCC(=C)C)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C22H32N2O3/c1-16(2)15-23-22(25)20-14-19(26-3)8-9-21(20)27-18-10-12-24(13-11-18)17-6-4-5-7-17/h8-9,14,17-18H,1,4-7,10-13,15H2,2-3H3,(H,23,25)
• InChIKey: FOJRBOIRPNNSEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-(2-methylprop-2-en-1-yl)benzamide
• IUPAC Traditional name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-(2-methylprop-2-en-1-yl)benzamide
• Synonyms: 2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-methoxy-N-(2-methyl-2-propen-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.728769
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.284609
• LogD (pH = 7.4): 1.0357382
• Log P: 3.0883389
• Molar Refractivity: 108.2685 cm^3
• Polarizability: 41.963318 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.46
• LOG S: -4.68
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6