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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H28FNO4.ClH
Molecular Weight 449.943
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-{3-[4-(4-fluorobenzoyl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethan-1-one hydrochloride

SMILES

Cl.COC1=C(OCCCN2CCC(CC2)C(=O)C3=CC=C(F)C=C3)C=CC(=C1)C(C)=O

InChI

InChIKey=QUINACONPGHHMC-UHFFFAOYSA-N
InChI=1S/C24H28FNO4.ClH/c1-17(27)20-6-9-22(23(16-20)29-2)30-15-3-12-26-13-10-19(11-14-26)24(28)18-4-7-21(25)8-5-18;/h4-9,16,19H,3,10-15H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula C24H28FNO4
Molecular Weight 413.4818
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 17:36:34 GMT 2025
Edited
by admin
on Mon Mar 31 17:36:34 GMT 2025
Record UNII
7P4YH66XYM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(4-{3-[4-(4-fluorobenzoyl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethan-1-one hydrochloride
Systematic Name English
AHR-2244 hydrochloride
Preferred Name English
Ethanone, 1-[4-[3-[4-(4-fluorobenzoyl)-1-piperidinyl]propoxy]-3-methoxyphenyl]-, hydrochloride (1:1)
Systematic Name English
Ethanone, 1-[4-[3-[4-(4-fluorobenzoyl)-1-piperidinyl]propoxy]-3-methoxyphenyl]-, hydrochloride
Systematic Name English
Code System Code Type Description
FDA UNII
7P4YH66XYM
Created by admin on Mon Mar 31 17:36:34 GMT 2025 , Edited by admin on Mon Mar 31 17:36:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID10947619
Created by admin on Mon Mar 31 17:36:34 GMT 2025 , Edited by admin on Mon Mar 31 17:36:34 GMT 2025
PRIMARY
PUBCHEM
32590
Created by admin on Mon Mar 31 17:36:34 GMT 2025 , Edited by admin on Mon Mar 31 17:36:34 GMT 2025
PRIMARY
CAS
24677-84-7
Created by admin on Mon Mar 31 17:36:34 GMT 2025 , Edited by admin on Mon Mar 31 17:36:34 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE