EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	AM94HT3A73
EPA CompTox	DTXSID60232643

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

AM94HT3A73

EPA CompTox

DTXSID60232643


InChI Key	HUXFLUGDDURGAH-UHFFFAOYSA-N
Smiles	CCOC(=O)N1CCC(CC1)(Nc1ccccc1)C(=O)N
InChI	InChI=1S/C15H21N3O3/c1-2-21-14(20)18-10-8-15(9-11-18,13(16)19)17-12-6-4-3-5-7-12/h3-7,17H,2,8-11H2,1H3,(H2,16,19)

InChI Key

HUXFLUGDDURGAH-UHFFFAOYSA-N

Smiles

CCOC(=O)N1CCC(CC1)(Nc1ccccc1)C(=O)N

InChI

InChI=1S/C15H21N3O3/c1-2-21-14(20)18-10-8-15(9-11-18,13(16)19)17-12-6-4-3-5-7-12/h3-7,17H,2,8-11H2,1H3,(H2,16,19)

Property Name	Value
Molecular Formula	C15H21N3O3
Molecular Weight	291.16
AlogP	2.62
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	85.65
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C15H21N3O3

Molecular Weight

291.16

AlogP

2.62

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

4.0

Polar Surface Area

85.65

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	83783-72-6
NORMAN SUSDAT
FDA SRS	AM94HT3A73
PubChem	3019309
ChemSpider	2286573.0

Resources

Reference

CAS NUMBER

83783-72-6

NORMAN SUSDAT

FDA SRS

AM94HT3A73

PubChem

3019309

ChemSpider

2286573.0

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

ETHYL 4-CARBAMOYL-4-(PHENYLAMINO)PIPERIDINE-1-CARBOXYLATE

Structure

Physicochemical Descriptors

Cross References