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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H18N2O3
Molecular Weight 286.3257
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-(Cyclopropanecarbonyl)piperazine-1-carbonyl)benzaldehyde

SMILES

O=CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3CC3

InChI

InChIKey=GBQHKVFYUXURBY-UHFFFAOYSA-N
InChI=1S/C16H18N2O3/c19-11-12-2-1-3-14(10-12)16(21)18-8-6-17(7-9-18)15(20)13-4-5-13/h1-3,10-11,13H,4-9H2

HIDE SMILES / InChI

Molecular Formula C16H18N2O3
Molecular Weight 286.3257
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 Sat Dec 16 19:52:51 GMT 2023
Edited
by admin
on Sat Dec 16 19:52:51 GMT 2023
Record UNII
499Y99HF75
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-(Cyclopropanecarbonyl)piperazine-1-carbonyl)benzaldehyde
Systematic Name English
3-[[4-(Cyclopropylcarbonyl)-1-piperazinyl]carbonyl]benzaldehyde
Systematic Name English
Benzaldehyde, 3-[[4-(cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
499Y99HF75
Created by admin on Sat Dec 16 19:52:51 GMT 2023 , Edited by admin on Sat Dec 16 19:52:51 GMT 2023
PRIMARY
PUBCHEM
86639032
Created by admin on Sat Dec 16 19:52:51 GMT 2023 , Edited by admin on Sat Dec 16 19:52:51 GMT 2023
PRIMARY
CAS
1207453-37-9
Created by admin on Sat Dec 16 19:52:51 GMT 2023 , Edited by admin on Sat Dec 16 19:52:51 GMT 2023
PRIMARY