EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID20978757

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID20978757


InChI Key	PDZUDLSGYIIFCW-UHFFFAOYSA-N
Smiles	O=C1N(CCC2=CNC=3C=CC(F)=CC32)CCCC1
InChI	InChI=1/C15H17FN2O/c16-12-4-5-14-13(9-12)11(10-17-14)6-8-18-7-2-1-3-15(18)19/h4-5,9-10,17H,1-3,6-8H2

InChI Key

PDZUDLSGYIIFCW-UHFFFAOYSA-N

Smiles

O=C1N(CCC2=CNC=3C=CC(F)=CC32)CCCC1

InChI

InChI=1/C15H17FN2O/c16-12-4-5-14-13(9-12)11(10-17-14)6-8-18-7-2-1-3-15(18)19/h4-5,9-10,17H,1-3,6-8H2

Property Name	Value
Molecular Formula	C15H17FN2O
Molecular Weight	260.13
AlogP	2.86
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	36.1
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H17FN2O

Molecular Weight

260.13

AlogP

2.86

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

36.1

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	62933-31-7
NORMAN SUSDAT
PubChem	3017369

Resources

Reference

CAS NUMBER

62933-31-7

NORMAN SUSDAT

PubChem

3017369

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...

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Last update: Monday, 3 November 2025

1-[2-(5-FLUORO-1H-INDOL-3-YL)ETHYL]PIPERIDIN-2-ONE

Structure

Physicochemical Descriptors

Cross References