EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	YM6J8M94R7
EPA CompTox	DTXSID40182273

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

YM6J8M94R7

EPA CompTox

DTXSID40182273


InChI Key	JDZQCVNSMIOFBW-UHFFFAOYSA-N
Smiles	CN1CCC(CC1)NNC(=O)C
InChI	InChI=1S/C8H17N3O/c1-7(12)9-10-8-3-5-11(2)6-4-8/h8,10H,3-6H2,1-2H3,(H,9,12)

InChI Key

JDZQCVNSMIOFBW-UHFFFAOYSA-N

Smiles

CN1CCC(CC1)NNC(=O)C

InChI

InChI=1S/C8H17N3O/c1-7(12)9-10-8-3-5-11(2)6-4-8/h8,10H,3-6H2,1-2H3,(H,9,12)

Property Name	Value
Molecular Formula	C8H17N3O1
Molecular Weight	171.14
AlogP	0.56
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	47.86
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C8H17N3O1

Molecular Weight

171.14

AlogP

0.56

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

47.86

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	2799-92-0
NORMAN SUSDAT
FDA SRS	YM6J8M94R7
PubChem	76046
ChemSpider	68540.0

Resources

Reference

CAS NUMBER

2799-92-0

NORMAN SUSDAT

FDA SRS

YM6J8M94R7

PubChem

76046

ChemSpider

68540.0

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'-(N-METHYL-4-PIPERIDYL)ACETOHYDRAZIDE

Structure

Physicochemical Descriptors

Cross References