EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	C7RP4BKQ2Q
EPA CompTox	DTXSID40166972

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

C7RP4BKQ2Q

EPA CompTox

DTXSID40166972


InChI Key	CYTIQZKDSHKYGB-UHFFFAOYSA-N
Smiles	CC(=O)N(C1CCNCC1)C2=CC=CC=C2
InChI	InChI=1S/C13H18N2O/c1-11(16)15(12-5-3-2-4-6-12)13-7-9-14-10-8-13/h2-6,13-14H,7-10H2,1H3

InChI Key

CYTIQZKDSHKYGB-UHFFFAOYSA-N

Smiles

CC(=O)N(C1CCNCC1)C2=CC=CC=C2

InChI

InChI=1S/C13H18N2O/c1-11(16)15(12-5-3-2-4-6-12)13-7-9-14-10-8-13/h2-6,13-14H,7-10H2,1H3

Property Name	Value
Molecular Formula	C13H18N2O1
Molecular Weight	218.14
AlogP	1.79
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	32.34
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C13H18N2O1

Molecular Weight

218.14

AlogP

1.79

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

32.34

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	1607-68-7
NORMAN SUSDAT
FDA SRS	C7RP4BKQ2Q
PubChem	74156
ChemSpider	66767.0

Resources

Reference

CAS NUMBER

1607-68-7

NORMAN SUSDAT

FDA SRS

C7RP4BKQ2Q

PubChem

74156

ChemSpider

66767.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

N-PHENYL-N-4-PIPERIDINYLACETAMIDE

Structure

Physicochemical Descriptors

Cross References