4-[(1-cyclopentylpiperidin-4-yl)oxy]-3-methoxy-N-(1-methoxypropan-2-yl)benzamide

• ChemBase ID: 520913
• Molecular Formular: C22H34N2O4
• Molecular Mass: 390.51636
• Monoisotopic Mass: 390.25185758
• SMILES: C(=O)(c1cc(c(OC2CCN(CC2)C2CCCC2)cc1)OC)NC(COC)C
• Canonical SMILES: COCC(NC(=O)c1ccc(c(c1)OC)OC1CCN(CC1)C1CCCC1)C
• InChI: InChI=1S/C22H34N2O4/c1-16(15-26-2)23-22(25)17-8-9-20(21(14-17)27-3)28-19-10-12-24(13-11-19)18-6-4-5-7-18/h8-9,14,16,18-19H,4-7,10-13,15H2,1-3H3,(H,23,25)
• InChIKey: SIOYKKCKTXROGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopentylpiperidin-4-yl)oxy]-3-methoxy-N-(1-methoxypropan-2-yl)benzamide
• IUPAC Traditional name: 4-[(1-cyclopentylpiperidin-4-yl)oxy]-3-methoxy-N-(1-methoxypropan-2-yl)benzamide
• Synonyms: 4-[(1-cyclopentyl-4-piperidinyl)oxy]-3-methoxy-N-(2-methoxy-1-methylethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.773961
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.87954533
• LogD (pH = 7.4): 0.46719387
• Log P: 2.4833272
• Molar Refractivity: 110.2861 cm^3
• Polarizability: 42.90126 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.38
• LOG S: -4.25
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 6