[(1R)-2-(3-{Methyl[1-(2-Naphthoyl)-4-Piperidinyl]Carbamoyl}-2-Naphthyl)-1-(1-Naphthyl)-2-Oxoethyl]Phosphonic Acid

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Properties Simple | Detailed

Formula C40H35N2O6P
IUPAC Name n-methyl-2-[(2r)-2-phosphonatobutanoyl]-n-[1-[(e)-2-vinylbut-2-enoyl]-4-piperidyl]benzamide
Molecular Mass 670.689 g·mol−1
Heat of Formation -768.7 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 783.66 Å 3
Surface Area 620.3 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-({methyl[1-(2-naphthoyl)piperidin-4-yl]amino}carbonyl)-2-naphthyl]-1-(1-naphthyl)-2-oxoethylphosphonic acid
  • [(1r)-2-[3-[[methyl-[1-(2-naphthyl-oxomethyl)-4-piperidinyl]amino]-oxomethyl]-2-naphthyl]-1-(1-naphthyl)-2-oxoethyl]phosphonic acid
  • [(1r)-2-[3-[methyl-(1-naphthalen-2-ylcarbonylpiperidin-4-yl)carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxo-ethyl]phosphonic acid
  • [(1r)-2-[3-[methyl-[1-(naphthalene-2-carbonyl)-4-piperidyl]carbamoyl]-2-naphthyl]-1-(1-naphthyl)-2-oxo-ethyl]phosphonic acid
  • [(1r)-2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
  • [(1r)-2-keto-2-[3-[methyl-[1-(naphthalene-2-carbonyl)-4-piperidyl]carbamoyl]-2-naphthyl]-1-(1-naphthyl)ethyl]phosphonic acid
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InChIKey XUJQPDQURBZEGJ-KXQOOQHDSA-N
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