EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID70347459

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID70347459


InChI Key	SLTQVWMQISKVDN-UHFFFAOYSA-N
Smiles	CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC(=CC=C3)F
InChI	InChI=1S/C22H27FN2O/c1-2-22(26)25(21-10-6-9-19(23)17-21)20-12-15-24(16-13-20)14-11-18-7-4-3-5-8-18/h3-10,17,20H,2,11-16H2,1H3

InChI Key

SLTQVWMQISKVDN-UHFFFAOYSA-N

Smiles

CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H27FN2O/c1-2-22(26)25(21-10-6-9-19(23)17-21)20-12-15-24(16-13-20)14-11-18-7-4-3-5-8-18/h3-10,17,20H,2,11-16H2,1H3

Property Name	Value
Molecular Formula	C22H27F1N2O1
Molecular Weight	354.21
AlogP	4.28
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	23.55
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C22H27F1N2O1

Molecular Weight

354.21

AlogP

4.28

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

23.55

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	90736-22-4
NORMAN SUSDAT
PubChem	621847
ChemSpider	540323.0

Resources

Reference

CAS NUMBER

90736-22-4

NORMAN SUSDAT

PubChem

621847

ChemSpider

540323.0

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...

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Last update: Monday, 3 November 2025

PROPANAMIDE, N-(3-FLUOROPHENYL)-N-[1-(2-PHENYLETHYL)-4-PIPERIDINYL]-

Structure

Physicochemical Descriptors

Cross References