EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	240L69DTV7
EPA CompTox	DTXSID8059342

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

240L69DTV7

EPA CompTox

DTXSID8059342


InChI Key	BXRNXXXXHLBUKK-UHFFFAOYSA-N
Smiles	C1C(=O)NCC(=O)N1
InChI	InChI=1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)

InChI Key

BXRNXXXXHLBUKK-UHFFFAOYSA-N

Smiles

C1C(=O)NCC(=O)N1

InChI

InChI=1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)

Property Name	Value
Molecular Formula	C4H6N2O2
Molecular Weight	114.04
AlogP	-0.09
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	65.18
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C4H6N2O2

Molecular Weight

114.04

AlogP

-0.09

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

65.18

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	106-57-0
NORMAN SUSDAT
FDA SRS	240L69DTV7
PubChem	7817
ChemSpider	7529.0

Resources

Reference

CAS NUMBER

106-57-0

NORMAN SUSDAT

FDA SRS

240L69DTV7

PubChem

7817

ChemSpider

7529.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

2,5-PIPERAZINEDIONE

Structure

Physicochemical Descriptors

Cross References