EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ST5T93T7OJ
EPA CompTox	DTXSID70202236

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ST5T93T7OJ

EPA CompTox

DTXSID70202236


InChI Key	SNOJOKOVTYPHMC-UHFFFAOYSA-N
Smiles	O=C(N1CCCCC1)N1CCCCC1
InChI	InChI=1S/C11H20N2O/c14-11(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2

InChI Key

SNOJOKOVTYPHMC-UHFFFAOYSA-N

Smiles

O=C(N1CCCCC1)N1CCCCC1

InChI

InChI=1S/C11H20N2O/c14-11(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2

Property Name	Value
Molecular Formula	C11H20N2O1
Molecular Weight	196.16
AlogP	2.08
Hydrogen Bond Acceptor	1.0
Polar Surface Area	23.55
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C11H20N2O1

Molecular Weight

196.16

AlogP

2.08

Hydrogen Bond Acceptor

1.0

Polar Surface Area

23.55

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	5395-04-0
NORMAN SUSDAT
FDA SRS	ST5T93T7OJ
PubChem	21493
ChemSpider	20200.0

Resources

Reference

CAS NUMBER

5395-04-0

NORMAN SUSDAT

FDA SRS

ST5T93T7OJ

PubChem

21493

ChemSpider

20200.0

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

PIPERIDINE, 1,1'-CARBONYLDI-

Structure

Physicochemical Descriptors

Cross References