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Details

Stereochemistry RACEMIC
Molecular Formula C18H25N3O5
Molecular Weight 363.4082
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl trans-2,6-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate

SMILES

C[C@H]1CN(C[C@H](C)N1C(=O)OC(C)(C)C)C(=O)C2=CC=C(C=C2)[N+]([O-])=O

InChI

InChIKey=QGVPTHTVEVFQEJ-STQMWFEESA-N
InChI=1S/C18H25N3O5/c1-12-10-19(11-13(2)20(12)17(23)26-18(3,4)5)16(22)14-6-8-15(9-7-14)21(24)25/h6-9,12-13H,10-11H2,1-5H3/t12-,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H25N3O5
Molecular Weight 363.4082
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:34:31 GMT 2025
Edited
by admin
on Wed Apr 02 19:34:31 GMT 2025
Record UNII
6DD58TW7AF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
tert-Butyl trans-2,6-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate
Systematic Name English
1-Piperazinecarboxylic acid, 2,6-dimethyl-4-(4-nitrobenzoyl)-, 1,1-dimethylethyl ester, (2R,6R)-rel-
Preferred Name English
rel-1,1-Dimethylethyl (2R,6R)-2,6-dimethyl-4-(4-nitrobenzoyl)-1-piperazinecarboxylate
Systematic Name English
Code System Code Type Description
FDA UNII
6DD58TW7AF
Created by admin on Wed Apr 02 19:34:31 GMT 2025 , Edited by admin on Wed Apr 02 19:34:31 GMT 2025
PRIMARY
PUBCHEM
171390165
Created by admin on Wed Apr 02 19:34:31 GMT 2025 , Edited by admin on Wed Apr 02 19:34:31 GMT 2025
PRIMARY