EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	BVW2YA174O
EPA CompTox	DTXSID70200338

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

BVW2YA174O

EPA CompTox

DTXSID70200338


InChI Key	QEUTZPRLLBCXNK-UHFFFAOYSA-N
Smiles	O=C(NNC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChI	InChI=1S/C19H23N3O/c23-19(17-9-5-2-6-10-17)21-20-18-11-13-22(14-12-18)15-16-7-3-1-4-8-16/h1-10,18,20H,11-15H2,(H,21,23)

InChI Key

QEUTZPRLLBCXNK-UHFFFAOYSA-N

Smiles

O=C(NNC1CCN(Cc2ccccc2)CC1)c1ccccc1

InChI

InChI=1S/C19H23N3O/c23-19(17-9-5-2-6-10-17)21-20-18-11-13-22(14-12-18)15-16-7-3-1-4-8-16/h1-10,18,20H,11-15H2,(H,21,23)

Property Name	Value
Molecular Formula	C19H23N3O1
Molecular Weight	309.18
AlogP	3.16
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	47.86
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C19H23N3O1

Molecular Weight

309.18

AlogP

3.16

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

47.86

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	52313-55-0
NORMAN SUSDAT
FDA SRS	BVW2YA174O
PubChem	73103
ChemSpider	65886.0

Resources

Reference

CAS NUMBER

52313-55-0

NORMAN SUSDAT

FDA SRS

BVW2YA174O

PubChem

73103

ChemSpider

65886.0

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, 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

BENZO(2'-(1-BENZYL-4-PIPERIDYL))HYDRAZIDE

Structure

Physicochemical Descriptors

Cross References