EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID90869365

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID90869365


InChI Key	OKTLVZBUKMRPLL-UHFFFAOYSA-N
Smiles	CC(=O)N(c1ccccc1)C1CCN([C@@H](C)Cc2ccccc2)CC1
InChI	InChI=1/C22H28N2O/c1-18(17-20-9-5-3-6-10-20)23-15-13-22(14-16-23)24(19(2)25)21-11-7-4-8-12-21/h3-12,18,22H,13-17H2,1-2H3

InChI Key

OKTLVZBUKMRPLL-UHFFFAOYSA-N

Smiles

CC(=O)N(c1ccccc1)C1CCN([C@@H](C)Cc2ccccc2)CC1

InChI

InChI=1/C22H28N2O/c1-18(17-20-9-5-3-6-10-20)23-15-13-22(14-16-23)24(19(2)25)21-11-7-4-8-12-21/h3-12,18,22H,13-17H2,1-2H3

Property Name	Value
Molecular Formula	C22H28N2O
Molecular Weight	336.22
AlogP	4.14
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	23.55
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C22H28N2O

Molecular Weight

336.22

AlogP

4.14

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

23.55

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	101860-00-8
NORMAN SUSDAT
PubChem	62307
ChemSpider	56102.0

Resources

Reference

CAS NUMBER

101860-00-8

NORMAN SUSDAT

PubChem

62307

ChemSpider

56102.0

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

N-[1-(1-METHYL-2-PHENYLETHYL)-4-PIPERIDINYL]-N-PHENYLACETAMIDE

Structure

Physicochemical Descriptors

Cross References