2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone

C15H22N2O2 — CID 124684295

IUPAC2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
SMILESCCc1ccccc1OCC(=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C15H22N2O2/c1-3-13-6-4-5-7-14(13)19-11-15(18)17-9-8-16-12(2)10-17/h4-7,12,16H,3,8-11H2,1-2H3/t12-/m0/s1
InChIKeyDMWWWAVHCTVNLM-LBPRGKRZSA-N
MW262.35 g/mol
LogP1.45
Rot. Bonds4

About 2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone

2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone (PubChem CID 124684295) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
PubChem CID124684295
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
SMILESCCc1ccccc1OCC(=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C15H22N2O2/c1-3-13-6-4-5-7-14(13)19-11-15(18)17-9-8-16-12(2)10-17/h4-7,12,16H,3,8-11H2,1-2H3/t12-/m0/s1
InChIKeyDMWWWAVHCTVNLM-LBPRGKRZSA-N
XLogP1.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone 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-ethylphenoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 124620495
1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride
CID 119576784
2-(2-butan-2-ylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119579471
2-(3-chloro-2-methylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone
CID 119580291
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(2-ethylphenoxy)ethanone;hydrochloride
CID 119635472
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
2-(2,4-difluorophenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124694108
2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119576796
2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81427817
2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110023413
2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone
CID 63653956
2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65449559

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone (CID 124684295) is 2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone is CCc1ccccc1OCC(=O)N1CCN[C@@H](C)C1.
What is the InChIKey of 2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone?
The InChIKey is DMWWWAVHCTVNLM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-13-6-4-5-7-14(13)19-11-15(18)17-9-8-16-12(2)10-17/h4-7,12,16H,3,8-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone?
2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 124684295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).