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(+)-TERT.-BUTYL-(R)-4-[2-(3,4-DICHLOROPHENYL)-ACETYL]-3-[(S)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZINE-1-CARBOXYLATE;MAJOR-ROTAMER

Compound with spectra: 3 NMR

(+)-TERT.-BUTYL-(R)-4-[2-(3,4-DICHLOROPHENYL)-ACETYL]-3-[(S)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZINE-1-CARBOXYLATE;MAJOR-ROTAMER
SpectraBase Compound ID GwvqbjeABKd
InChI InChI=1S/C23H33Cl2N3O3/c1-16(26-9-5-6-10-26)20-15-27(22(30)31-23(2,3)4)11-12-28(20)21(29)14-17-7-8-18(24)19(25)13-17/h7-8,13,16,20H,5-6,9-12,14-15H2,1-4H3/t16-,20-/m0/s1
InChIKey NFYHRIITTGWAQV-JXFKEZNVSA-N
Mol Weight 470.4 g/mol
Molecular Formula C23H33Cl2N3O3
Exact Mass 469.189897 g/mol
Enantiomer InChIKey NFYHRIITTGWAQV-OXQOHEQNSA-N

View Spectrum of (+)-TERT.-BUTYL-(R)-4-[2-(3,4-DICHLOROPHENYL)-ACETYL]-3-[(S)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZINE-1-CARBOXYLATE;MAJOR-ROTAMER

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent NAOD:D2O=1:20

View Spectrum of (+)-TERT.-BUTYL-(R)-4-[2-(3,4-DICHLOROPHENYL)-ACETYL]-3-[(S)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZINE-1-CARBOXYLATE;MAJOR-ROTAMER

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C6D5NO2

View Spectrum of (+)-TERT.-BUTYL-(R)-4-[2-(3,4-DICHLOROPHENYL)-ACETYL]-3-[(S)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZINE-1-CARBOXYLATE;MAJOR-ROTAMER

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C6D5NO2
  • (+)-TERT.-BUTYL-(R)-4-[2-(3,4-DICHLOROPHENYL)-ACETYL]-3-[(S)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZINE-1-CARBOXYLATE;MINOR-ROTAMER
  • (+)-TERT.-BUTYL-(R)-4-[2-(3,4-DICHLOROPHENYL)-ACETYL]-3-[(S)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZINE-1-CARBOXYLATE
(-)-TERT.-BUTYL-(R)-4-[2-(3,4-DICHLOROPHENYL)-ACETYL]-3-[(R)-1-(PYRROLIDIN-1-YL)-ETHYL]-PIPERAZINE-1-CARBOXYLATE;MAJOR-ROTAMER
N-[(1R,2R,5S)-6-BENZYL-8-METHYL-6,8-DIAZABICYCLO-[3.2.2]-NONAN-2-YL]-2-(3,4-DICHLOROPHENYL)-ACETAMIDE
N-[(1R,2S,5S)-6-BENZYL-8-METHYL-6,8-DIAZABICYCLO-[3.2.2]-NONAN-2-YL]-2-(3,4-DICHLOROPHENYL)-ACETAMIDE
(2S,4R)-N-[(2S)-N-(TERT.-BUTOXYCARBONYL)-PROLYL]-4-HYDROXYPROLINE-METHYLAMIDE
trans-1-methyl-4-(benzo[b]thien-4-ylacetyl)decahydroquinoxaline
cis-1,3,5,7-Tetracarboxyethyl-1,3,5,7-tetraazadecalin
(+-)-2-(9H-Fluoren-9-yl)methyl 5-tert-butyl-2,5-diazabicyclo[4.1.0]heptane-2,5-dicarboxylate
CARBAMIN-B
CARMABIN_A;MAJOR_CONFORMER
XXRIESHOTBNFTO-LSDHHAIUSA-N
Title Journal or Book Year
Methylated Analogues of Methyl (R)-4-(3,4-Dichlorophenylacetyl)- 3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate (GR-89,696) as Highly Potent κ-Receptor Agonists:  Stereoselective Synthesis, Opioid-Receptor Affinity, Receptor Selectivity, and Functional Studies Journal of Medicinal Chemistry 2001
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