2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone

C14H20N2O2 — CID 9156518

IUPAC2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone
SMILESCc1cccc(OCC(=O)N2CCNCC2)c1C
InChIInChI=1S/C14H20N2O2/c1-11-4-3-5-13(12(11)2)18-10-14(17)16-8-6-15-7-9-16/h3-5,15H,6-10H2,1-2H3
InChIKeyCSOWRJKDITYGJM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.11
Rot. Bonds3

About 2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone

2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone (PubChem CID 9156518) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone
PubChem CID9156518
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone
SMILESCc1cccc(OCC(=O)N2CCNCC2)c1C
InChIInChI=1S/C14H20N2O2/c1-11-4-3-5-13(12(11)2)18-10-14(17)16-8-6-15-7-9-16/h3-5,15H,6-10H2,1-2H3
InChIKeyCSOWRJKDITYGJM-UHFFFAOYSA-N
XLogP1.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dimethylphenoxy)-1-[4-[2-(2,3-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108546513
1-[2-(2,3-dimethylphenoxy)acetyl]-1,4-diazepan-5-one
CID 62045725
1-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 108535733
2-(3-chloro-2-methylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119418195
1-(1,4-diazepan-1-yl)-3-(2,3-dimethylphenoxy)propan-1-one;hydrochloride
CID 119418568
1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 82042517
2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 37387185
2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55132312
1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 18456277
2-(2,3-dimethylphenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 138623960
2-(2-aminophenoxy)-1-piperazin-1-ylethanone
CID 82510509
2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone
CID 63653956

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone (CID 9156518) is 2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone is Cc1cccc(OCC(=O)N2CCNCC2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone?
The InChIKey is CSOWRJKDITYGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-4-3-5-13(12(11)2)18-10-14(17)16-8-6-15-7-9-16/h3-5,15H,6-10H2,1-2H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone?
2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone has a molecular weight of 248.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone is sourced from PubChem (CID 9156518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).