U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H25F3N2O3
Molecular Weight 386.4086
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-butyl N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate

SMILES

C[C@@H]1[C@@H](C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(F)(F)F)C2=CC=CC=C2

InChI

InChIKey=MELDCCAUUHOZLN-YUELXQCFSA-N
InChI=1S/C19H25F3N2O3/c1-12-14(13-8-6-5-7-9-13)10-15(23-17(26)27-18(2,3)4)16(25)24(12)11-19(20,21)22/h5-9,12,14-15H,10-11H2,1-4H3,(H,23,26)/t12-,14-,15+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1,1-Dimethylethyl N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3-piperidinyl]carbamate
Preferred Name English
tert-butyl N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
Systematic Name English
Carbamic acid, N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3-piperidinyl]-, 1,1-dimethylethyl ester
Systematic Name English
Code System Code Type Description
CAS
1456803-35-2
Created by admin on Wed Apr 02 19:55:14 GMT 2025 , Edited by admin on Wed Apr 02 19:55:14 GMT 2025
PRIMARY
PUBCHEM
162571936
Created by admin on Wed Apr 02 19:55:14 GMT 2025 , Edited by admin on Wed Apr 02 19:55:14 GMT 2025
PRIMARY
FDA UNII
CQ4Z39373U
Created by admin on Wed Apr 02 19:55:14 GMT 2025 , Edited by admin on Wed Apr 02 19:55:14 GMT 2025
PRIMARY