N-(2,3-dihydro-1H-inden-1-yl)-4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 486896
• Molecular Formular: C25H30N2O4
• Molecular Mass: 422.5167
• Monoisotopic Mass: 422.22055745
• SMILES: N1(C(=O)CCOC)CCC(CC1)Oc1ccc(C(=O)NC2c3c(CC2)cccc3)cc1
• Canonical SMILES: COCCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)NC1CCc2c1cccc2
• InChI: InChI=1S/C25H30N2O4/c1-30-17-14-24(28)27-15-12-21(13-16-27)31-20-9-6-19(7-10-20)25(29)26-23-11-8-18-4-2-3-5-22(18)23/h2-7,9-10,21,23H,8,11-17H2,1H3,(H,26,29)
• InChIKey: NKHNFAFWXYKQHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-1-yl)-4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-1-yl)-4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}benzamide
• Synonyms: N-(2,3-dihydro-1H-inden-1-yl)-4-{[1-(3-methoxypropanoyl)-4-piperidinyl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.120144
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4751797
• LogD (pH = 7.4): 2.47518
• Log P: 2.47518
• Molar Refractivity: 119.5648 cm^3
• Polarizability: 45.96778 Å^3
• Polar Surface Area: 67.87 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: 2.63
• LOG S: -5.23
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6