EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	RLR8ZBF6SY
EPA CompTox	DTXSID60216463

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

RLR8ZBF6SY

EPA CompTox

DTXSID60216463


InChI Key	IGWXRAMPNLUISR-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)CCCCCCCCCCC
InChI	InChI=1S/C28H54N2O2/c1-3-5-7-9-11-13-15-17-19-21-27(31)29-23-25-30(26-24-29)28(32)22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3

InChI Key

IGWXRAMPNLUISR-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)CCCCCCCCCCC

InChI

InChI=1S/C28H54N2O2/c1-3-5-7-9-11-13-15-17-19-21-27(31)29-23-25-30(26-24-29)28(32)22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3

Property Name	Value
Molecular Formula	C28H54N2O2
Molecular Weight	450.42
AlogP	7.5
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	20.0
Polar Surface Area	40.62
Heavy Atoms	32.0

Property Name

Value

Molecular Formula

C28H54N2O2

Molecular Weight

450.42

AlogP

7.5

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

20.0

Polar Surface Area

40.62

Heavy Atoms

32.0

Resources	Reference
CAS NUMBER	6626-83-1
NORMAN SUSDAT
FDA SRS	RLR8ZBF6SY
PubChem	81108
ChemSpider	73175.0

Resources

Reference

CAS NUMBER

6626-83-1

NORMAN SUSDAT

FDA SRS

RLR8ZBF6SY

PubChem

81108

ChemSpider

73175.0

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(1-OXODODECYL)PIPERAZINE

Structure

Physicochemical Descriptors

Cross References