EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	OU4R823UUE
EPA CompTox	DTXSID30179379

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

OU4R823UUE

EPA CompTox

DTXSID30179379


InChI Key	FNXGWGAOSHYTSX-UHFFFAOYSA-N
Smiles	CN1CCN(CC(=O)NN)CC1
InChI	InChI=1S/C7H16N4O/c1-10-2-4-11(5-3-10)6-7(12)9-8/h2-6,8H2,1H3,(H,9,12)

InChI Key

FNXGWGAOSHYTSX-UHFFFAOYSA-N

Smiles

CN1CCN(CC(=O)NN)CC1

InChI

InChI=1S/C7H16N4O/c1-10-2-4-11(5-3-10)6-7(12)9-8/h2-6,8H2,1H3,(H,9,12)

Property Name	Value
Molecular Formula	C7H16N4O1
Molecular Weight	172.13
AlogP	-0.94
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	65.09
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C7H16N4O1

Molecular Weight

172.13

AlogP

-0.94

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

65.09

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	24632-44-8
NORMAN SUSDAT
FDA SRS	OU4R823UUE
PubChem	90566
ChemSpider	81772.0

Resources

Reference

CAS NUMBER

24632-44-8

NORMAN SUSDAT

FDA SRS

OU4R823UUE

PubChem

90566

ChemSpider

81772.0

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-PIPERAZINEACETIC ACID, 4-METHYL-, HYDRAZIDE

Structure

Physicochemical Descriptors

Cross References