EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	YZJ8DMN6DT
EPA CompTox	DTXSID30620235

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

YZJ8DMN6DT

EPA CompTox

DTXSID30620235


InChI Key	LBWNQLVDYPNHAV-UHFFFAOYSA-N
Smiles	CN(C(=O)CN1CCN(C)CC1)c1ccc(N)cc1
InChI	InChI=1S/C14H22N4O/c1-16-7-9-18(10-8-16)11-14(19)17(2)13-5-3-12(15)4-6-13/h3-6H,7-11,15H2,1-2H3

InChI Key

LBWNQLVDYPNHAV-UHFFFAOYSA-N

Smiles

CN(C(=O)CN1CCN(C)CC1)c1ccc(N)cc1

InChI

InChI=1S/C14H22N4O/c1-16-7-9-18(10-8-16)11-14(19)17(2)13-5-3-12(15)4-6-13/h3-6H,7-11,15H2,1-2H3

Property Name	Value
Molecular Formula	C14H22N4O1
Molecular Weight	262.18
AlogP	0.48
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	52.81
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C14H22N4O1

Molecular Weight

262.18

AlogP

0.48

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

52.81

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	262368-30-9
NORMAN SUSDAT
FDA SRS	YZJ8DMN6DT
PubChem	21927707
ChemSpider	10681151.0

Resources

Reference

CAS NUMBER

262368-30-9

NORMAN SUSDAT

FDA SRS

YZJ8DMN6DT

PubChem

21927707

ChemSpider

10681151.0

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-(4-AMINOPHENYL)-N-METHYL-2-(4-METHYLPIPERAZIN-1-YL)ACETAMIDE

Structure

Physicochemical Descriptors

Cross References