N-{2-[4-(2-Isopropoxyphenyl)-1-Piperazinyl]Ethyl}-2-(2-Oxo-1-Azepanyl)Acetamide

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Properties Simple | Detailed

Formula C23H36N4O3
IUPAC Name n-[2-[4-(2-isopropoxyphenyl)piperazin-1-yl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
Molecular Mass 416.557 g·mol−1
Heat of Formation -515.6 ± 16.7 kJ·mol−1
Dipole Moment 6.22 ± 1.08 D
Volume 537.09 Å 3
Surface Area 434.21 Å 2
HOMO Energy -8.01 ± 0.55 eV
LUMO Energy 0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-oxoazepan-1-yl)-n-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]acetamide
  • 2-(2-oxoazepan-1-yl)-n-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]ethanamide
  • n-[2-[4-(2-isopropoxyphenyl)-1-piperazinyl]ethyl]-2-(2-oxo-1-azepanyl)acetamide
  • n-[2-[4-(2-isopropoxyphenyl)piperazin-1-yl]ethyl]-2-(2-ketoazepan-1-yl)acetamide
  • n-[2-[4-(2-isopropoxyphenyl)piperazin-1-yl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
InChIKey XHBOWUOETHUEOP-UHFFFAOYSA-N
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