EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID20940439

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID20940439


InChI Key	PUWVNTVQJFSBDH-UHFFFAOYSA-N
Smiles	O=C1NC(C(=O)NC1CCCN(O)C(=O)C)CCCN(O)C(=O)C
InChI	InChI=1/C14H24N4O6/c1-9(19)17(23)7-3-5-11-13(21)16-12(14(22)15-11)6-4-8-18(24)10(2)20/h11-12,23-24H,3-8H2,1-2H3,(H,15,22)(H,16,21)

InChI Key

PUWVNTVQJFSBDH-UHFFFAOYSA-N

Smiles

O=C1NC(C(=O)NC1CCCN(O)C(=O)C)CCCN(O)C(=O)C

InChI

InChI=1/C14H24N4O6/c1-9(19)17(23)7-3-5-11-13(21)16-12(14(22)15-11)6-4-8-18(24)10(2)20/h11-12,23-24H,3-8H2,1-2H3,(H,15,22)(H,16,21)

Property Name	Value
Molecular Formula	C14H24N4O6
Molecular Weight	344.17
AlogP	0.69
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	8.0
Polar Surface Area	146.26
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C14H24N4O6

Molecular Weight

344.17

AlogP

0.69

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

8.0

Polar Surface Area

146.26

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	18928-00-2
NORMAN SUSDAT
PubChem	29337

Resources

Reference

CAS NUMBER

18928-00-2

NORMAN SUSDAT

PubChem

29337

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

(2S-CIS)-N,N'-[(3,6-DIOXOPIPERAZINE-2,5-DIYL)DI-3,1-PROPANEDIYL]BIS[N-HYDROXYACETAMIDE]

Structure

Physicochemical Descriptors

Cross References