4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide

• ChemBase ID: 359085
• Molecular Formular: C23H33N3O3
• Molecular Mass: 399.52642
• Monoisotopic Mass: 399.25219193
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)NCCC2N(CCC2)C)cc1)C1CC1
• Canonical SMILES: CN1CCCC1CCNC(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C23H33N3O3/c1-25-14-2-3-19(25)10-13-24-22(27)17-6-8-20(9-7-17)29-21-11-15-26(16-12-21)23(28)18-4-5-18/h6-9,18-19,21H,2-5,10-16H2,1H3,(H,24,27)
• InChIKey: KCQIBVCCGHXMSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
• IUPAC Traditional name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
• Synonyms: 4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.063545
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8701257
• LogD (pH = 7.4): -0.46609473
• Log P: 1.4675564
• Molar Refractivity: 113.7135 cm^3
• Polarizability: 43.851826 Å^3
• Polar Surface Area: 61.88 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: 1.32
• LOG S: -3.88
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 7