Methyl (2S)-2-[(3S)-3-Benzyl-2-Oxo-1-Piperazinyl]-3-Phenylpropanoate

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Properties Simple | Detailed

Formula C21H24N2O3
IUPAC Name methyl (2s)-2-[(3s)-3-benzyl-2-oxo-piperazin-1-yl]-3-phenyl-propanoate
Molecular Mass 352.427 g·mol−1
Heat of Formation -334.4 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 436.94 Å 3
Surface Area 362.12 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(3s)-2-oxo-3-(phenylmethyl)-1-piperazinyl]-3-phenylpropanoic acid methyl ester
  • (2s)-2-[(3s)-3-(benzyl)-2-keto-piperazin-1-yl]-3-phenyl-propionic acid methyl ester
  • 1-piperazineacetic acid, 2-oxo-alpha,3-bis(phenylmethyl)-, methyl ester, (s-(r*,r*))-
  • methyl (2s)-2-[(3s)-2-oxo-3-(phenylmethyl)piperazin-1-yl]-3-phenyl-propanoate
  • methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate
CAS Number(s)
  • 135884-98-9
InChIKey ASHDRQJEJVMZJK-OALUTQOASA-N
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