EcoDrugPlus


Synonyms	Floropipamide NSC-759178 Pipamperone Pipamperone hydrochloride Pipaneperone R 3345 R-3345
Status
Molecule Category	Free-form
ATC	N05AD05
UNII	5402501F0W
EPA CompTox	DTXSID8048369

Synonyms

Floropipamide

NSC-759178

Pipamperone

Pipamperone hydrochloride

Pipaneperone

R 3345

R-3345

Status

Molecule Category

Free-form

ATC

N05AD05

UNII

5402501F0W

EPA CompTox

DTXSID8048369


InChI Key	AXKPFOAXAHJUAG-UHFFFAOYSA-N
Smiles	NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChI	InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)

InChI Key

AXKPFOAXAHJUAG-UHFFFAOYSA-N

Smiles

NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1

InChI

InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)

Property Name	Value
Molecular Formula	C21H30FN3O2
Molecular Weight	375.49
AlogP	2.59
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	66.64
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C21H30FN3O2

Molecular Weight

375.49

AlogP

2.59

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

7.0

Polar Surface Area

66.64

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

27.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Rattus norvegicus	-	5.37-19.05	-	1.39-9.53	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Rattus norvegicus

5.37-19.05

1.39-9.53

Resources	Reference
ChEBI	78549
ChEMBL	CHEMBL440294
DrugBank	DB09286
DrugCentral	2181
FDA SRS	5402501F0W
Guide to Pharmacology	92
PubChem	4830
SureChEMBL	SCHEMBL2412
ZINC	ZINC000021297287

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Guide to Pharmacology

PubChem

4830

SureChEMBL

SCHEMBL2412

ZINC

ZINC000021297287

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

PIPAMPERONE

Structure

Physicochemical Descriptors

Pharmacology

Cross References