EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8R57Y8R2X7
EPA CompTox	DTXSID80182272

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8R57Y8R2X7

EPA CompTox

DTXSID80182272


InChI Key	FIIVJDIEDSXVNJ-UHFFFAOYSA-N
Smiles	CN1CCC(=NNC(=O)C)CC1
InChI	InChI=1S/C8H15N3O/c1-7(12)9-10-8-3-5-11(2)6-4-8/h3-6H2,1-2H3,(H,9,12)

InChI Key

FIIVJDIEDSXVNJ-UHFFFAOYSA-N

Smiles

CN1CCC(=NNC(=O)C)CC1

InChI

InChI=1S/C8H15N3O/c1-7(12)9-10-8-3-5-11(2)6-4-8/h3-6H2,1-2H3,(H,9,12)

Property Name	Value
Molecular Formula	C8H15N3O1
Molecular Weight	169.12
AlogP	1.04
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	48.19
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C8H15N3O1

Molecular Weight

169.12

AlogP

1.04

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

48.19

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	2799-91-9
NORMAN SUSDAT
FDA SRS	8R57Y8R2X7
PubChem	76045
ChemSpider	68539.0

Resources

Reference

CAS NUMBER

2799-91-9

NORMAN SUSDAT

FDA SRS

8R57Y8R2X7

PubChem

76045

ChemSpider

68539.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

N-(1-METHYLPIPERIDIN-4-YLIDENE)ACETOHYDRAZIDE

Structure

Physicochemical Descriptors

Cross References