N-[(2R)-2-[(1,4'-Bipiperidin-1'-Ylacetyl)Amino]-3-(1H-Indol-3-Yl)Propyl]-N-(2-Methoxybenzyl)Acetamide

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Properties Simple | Detailed

Formula C33H45N5O3
IUPAC Name n-[(1r)-1-[[acetyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-(1h-indol-3-yl)ethyl]-2-[4-(1-piperidyl)-1-piperidyl]acetamide
Molecular Mass 559.742 g·mol−1
Heat of Formation -343.2 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 710.85 Å 3
Surface Area 548.16 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1r)-1-[[acetyl-(2-methoxybenzyl)amino]methyl]-2-(1h-indol-3-yl)ethyl]-2-(4-piperidino-1-piperidyl)acetamide
  • n-[(1r)-1-[[acetyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-(1h-indol-3-yl)ethyl]-2-[4-(1-piperidyl)-1-piperidyl]acetamide
  • n-[(2r)-1-[ethanoyl-[(2-methoxyphenyl)methyl]amino]-3-(1h-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamide
CAS Number(s)
  • 170566-84-4
InChIKey CVXJAPZTZWLRBP-MUUNZHRXSA-N
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