2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-(oxolan-2-ylmethyl)benzamide

• ChemBase ID: 345733
• Molecular Formular: C23H34N2O4
• Molecular Mass: 402.52706
• Monoisotopic Mass: 402.25185758
• SMILES: c1(C(=O)NCC2OCCC2)c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)NCC1CCCO1)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C23H34N2O4/c1-27-19-8-9-22(21(15-19)23(26)24-16-20-7-4-14-28-20)29-18-10-12-25(13-11-18)17-5-2-3-6-17/h8-9,15,17-18,20H,2-7,10-14,16H2,1H3,(H,24,26)
• InChIKey: OJWQGKJXBCIQHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-(oxolan-2-ylmethyl)benzamide
• IUPAC Traditional name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-(oxolan-2-ylmethyl)benzamide
• Synonyms: 2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-methoxy-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.692846
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.84065175
• LogD (pH = 7.4): 0.47963881
• Log P: 2.5323167
• Molar Refractivity: 113.0785 cm^3
• Polarizability: 44.015873 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.93
• LOG S: -4.51
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 6