EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7KGW8N5SLG
EPA CompTox	DTXSID20198796

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7KGW8N5SLG

EPA CompTox

DTXSID20198796


InChI Key	PKDGRAULLDDTRN-UHFFFAOYSA-N
Smiles	CN1CC(=O)N(C)CC1=O
InChI	InChI=1S/C6H10N2O2/c1-7-3-6(10)8(2)4-5(7)9/h3-4H2,1-2H3

InChI Key

PKDGRAULLDDTRN-UHFFFAOYSA-N

Smiles

CN1CC(=O)N(C)CC1=O

InChI

InChI=1S/C6H10N2O2/c1-7-3-6(10)8(2)4-5(7)9/h3-4H2,1-2H3

Property Name	Value
Molecular Formula	C6H10N2O2
Molecular Weight	142.07
AlogP	-1.08
Hydrogen Bond Acceptor	2.0
Polar Surface Area	40.62
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H10N2O2

Molecular Weight

142.07

AlogP

-1.08

Hydrogen Bond Acceptor

2.0

Polar Surface Area

40.62

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	5076-82-4
NORMAN SUSDAT
FDA SRS	7KGW8N5SLG
PubChem	78761
ChemSpider	71100.0

Resources

Reference

CAS NUMBER

5076-82-4

NORMAN SUSDAT

FDA SRS

7KGW8N5SLG

PubChem

78761

ChemSpider

71100.0

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

1,4-DIMETHYLPIPERAZINE-2,5-DIONE

Structure

Physicochemical Descriptors

Cross References