5-chloro-2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(furan-2-ylmethyl)benzamide

• ChemBase ID: 557075
• Molecular Formular: C22H27ClN2O3
• Molecular Mass: 402.91438
• Monoisotopic Mass: 402.17102041
• SMILES: c1(C(=O)NCc2occc2)c(OC2CCN(CC2)C2CCCC2)ccc(c1)Cl
• Canonical SMILES: Clc1ccc(c(c1)C(=O)NCc1ccco1)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C22H27ClN2O3/c23-16-7-8-21(20(14-16)22(26)24-15-19-6-3-13-27-19)28-18-9-11-25(12-10-18)17-4-1-2-5-17/h3,6-8,13-14,17-18H,1-2,4-5,9-12,15H2,(H,24,26)
• InChIKey: WKYRWUDAMJGIJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(furan-2-ylmethyl)benzamide
• IUPAC Traditional name: 5-chloro-2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(furan-2-ylmethyl)benzamide
• Synonyms: 5-chloro-2-[(1-cyclopentyl-4-piperidinyl)oxy]-N-(2-furylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.4698
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.29371974
• LogD (pH = 7.4): 1.6313621
• Log P: 3.6601634
• Molar Refractivity: 110.1689 cm^3
• Polarizability: 42.49444 Å^3
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.26
• LOG S: -5.51
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 6