EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID50204551

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID50204551


InChI Key	VZMALRANZODVRJ-UHFFFAOYSA-N
Smiles	Nc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(N)cc1
InChI	InChI=1S/C18H20N4O2/c19-15-5-1-13(2-6-15)17(23)21-9-11-22(12-10-21)18(24)14-3-7-16(20)8-4-14/h1-8H,9-12,19-20H2

InChI Key

VZMALRANZODVRJ-UHFFFAOYSA-N

Smiles

Nc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(N)cc1

InChI

InChI=1S/C18H20N4O2/c19-15-5-1-13(2-6-15)17(23)21-9-11-22(12-10-21)18(24)14-3-7-16(20)8-4-14/h1-8H,9-12,19-20H2

Property Name	Value
Molecular Formula	C18H20N4O2
Molecular Weight	324.16
AlogP	1.45
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	92.66
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C18H20N4O2

Molecular Weight

324.16

AlogP

1.45

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

92.66

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	55973-70-1
NORMAN SUSDAT
PubChem	91963
ChemSpider	83037.0

Resources

Reference

CAS NUMBER

55973-70-1

NORMAN SUSDAT

PubChem

91963

ChemSpider

83037.0

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

1,4-BIS(4-AMINOBENZOYL)PIPERAZINE

Structure

Physicochemical Descriptors

Cross References