EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	V0Q53N427T
EPA CompTox	DTXSID20203495

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

V0Q53N427T

EPA CompTox

DTXSID20203495


InChI Key	RIOZXKPJYKSKJV-UHFFFAOYSA-N
Smiles	Fc1ccc(cc1)N2CNC(=O)C23CCN(CCCC(=O)c4ccc(F)cc4)CC3
InChI	InChI=1S/C23H25F2N3O2/c24-18-5-3-17(4-6-18)21(29)2-1-13-27-14-11-23(12-15-27)22(30)26-16-28(23)20-9-7-19(25)8-10-20/h3-10H,1-2,11-16H2,(H,26,30)

InChI Key

RIOZXKPJYKSKJV-UHFFFAOYSA-N

Smiles

Fc1ccc(cc1)N2CNC(=O)C23CCN(CCCC(=O)c4ccc(F)cc4)CC3

InChI

InChI=1S/C23H25F2N3O2/c24-18-5-3-17(4-6-18)21(29)2-1-13-27-14-11-23(12-15-27)22(30)26-16-28(23)20-9-7-19(25)8-10-20/h3-10H,1-2,11-16H2,(H,26,30)

Property Name	Value
Molecular Formula	C23H25F2N3O2
Molecular Weight	413.19
AlogP	4.2
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	56.14
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C23H25F2N3O2

Molecular Weight

413.19

AlogP

4.2

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

56.14

Heavy Atoms

30.0

Resources	Reference
CAS NUMBER	54965-22-9
NORMAN SUSDAT
FDA SRS	V0Q53N427T

Resources

Reference

CAS NUMBER

54965-22-9

NORMAN SUSDAT

FDA SRS

V0Q53N427T

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

FLUSPIPERONE

Structure

Physicochemical Descriptors

Cross References