EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	S68W7S9ZPY
EPA CompTox	DTXSID80180218

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

S68W7S9ZPY

EPA CompTox

DTXSID80180218


InChI Key	JCGSSOIJYPBNJE-UHFFFAOYSA-N
Smiles	O=C(C1=CC=C(F)C=C1)C2CCN(C(=O)C)CC2
InChI	InChI=1/C14H16FNO2/c1-10(17)16-8-6-12(7-9-16)14(18)11-2-4-13(15)5-3-11/h2-5,12H,6-9H2,1H3

InChI Key

JCGSSOIJYPBNJE-UHFFFAOYSA-N

Smiles

O=C(C1=CC=C(F)C=C1)C2CCN(C(=O)C)CC2

InChI

InChI=1/C14H16FNO2/c1-10(17)16-8-6-12(7-9-16)14(18)11-2-4-13(15)5-3-11/h2-5,12H,6-9H2,1H3

Property Name	Value
Molecular Formula	C14H16FNO2
Molecular Weight	249.12
AlogP	2.27
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	37.38
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C14H16FNO2

Molecular Weight

249.12

AlogP

2.27

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

37.38

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	25519-77-1
NORMAN SUSDAT
FDA SRS	S68W7S9ZPY
PubChem	117257

Resources

Reference

CAS NUMBER

25519-77-1

NORMAN SUSDAT

FDA SRS

S68W7S9ZPY

PubChem

117257

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-ACETYL-4-(4-FLUOROBENZOYL)PIPERIDINE

Structure

Physicochemical Descriptors

Cross References