2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-(pyrrolidin-3-yl)benzamide

• ChemBase ID: 642213
• Molecular Formular: C22H33N3O3
• Molecular Mass: 387.51572
• Monoisotopic Mass: 387.25219193
• SMILES: c1(C(=O)NC2CCNC2)c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)NC1CCNC1)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C22H33N3O3/c1-27-19-6-7-21(20(14-19)22(26)24-16-8-11-23-15-16)28-18-9-12-25(13-10-18)17-4-2-3-5-17/h6-7,14,16-18,23H,2-5,8-13,15H2,1H3,(H,24,26)
• InChIKey: MUMODIBIDJGFBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-(pyrrolidin-3-yl)benzamide
• IUPAC Traditional name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-(pyrrolidin-3-yl)benzamide
• Synonyms: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-pyrrolidin-3-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.817495
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.908218
• LogD (pH = 7.4): -3.16642
• Log P: 1.6975261
• Molar Refractivity: 110.1148 cm^3
• Polarizability: 43.003696 Å^3
• Polar Surface Area: 62.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.05
• LOG S: -3.78
• Polar Surface Area: 62.83 Å^2
• Rotatable Bonds: 6