2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride

C20H23ClN2O3 — CID 119578085

IUPAC2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCC1CN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)CCN1.Cl
InChIInChI=1S/C20H22N2O3.ClH/c1-15-13-22(12-11-21-15)19(23)14-25-18-9-7-17(8-10-18)20(24)16-5-3-2-4-6-16;/h2-10,15,21H,11-14H2,1H3;1H
InChIKeyLPFFAUXOILPKAR-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.54
Rot. Bonds5

About 2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride

2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 119578085) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID119578085
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCC1CN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)CCN1.Cl
InChIInChI=1S/C20H22N2O3.ClH/c1-15-13-22(12-11-21-15)19(23)14-25-18-9-7-17(8-10-18)20(24)16-5-3-2-4-6-16;/h2-10,15,21H,11-14H2,1H3;1H
InChIKeyLPFFAUXOILPKAR-UHFFFAOYSA-N
XLogP2.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119576796
2-(4-chlorophenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81426221
2-(4-benzoylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119415956
1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride
CID 119576784
2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124684295
2-(2-ethylphenoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 124620495
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 7839656
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925634
2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone
CID 167771023
4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid
CID 82147640
2-(2-butan-2-ylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119579471
ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate
CID 25163543

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride (CID 119578085) is 2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride is CC1CN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)CCN1.Cl.
What is the InChIKey of 2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is LPFFAUXOILPKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3.ClH/c1-15-13-22(12-11-21-15)19(23)14-25-18-9-7-17(8-10-18)20(24)16-5-3-2-4-6-16;/h2-10,15,21H,11-14H2,1H3;1H.
What are the key properties of 2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride?
2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119578085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).