1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone

C22H26N2O3 — CID 18112391

IUPAC1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccccc1OCC(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-17(2)19-10-6-7-11-20(19)27-16-21(25)23-12-14-24(15-13-23)22(26)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3
InChIKeyGXPHWWJIOFDNQA-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.17
Rot. Bonds5

About 1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone

1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone (PubChem CID 18112391) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
PubChem CID18112391
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccccc1OCC(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-17(2)19-10-6-7-11-20(19)27-16-21(25)23-12-14-24(15-13-23)22(26)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3
InChIKeyGXPHWWJIOFDNQA-UHFFFAOYSA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 112977426
1-(4-benzhydrylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 4945471
1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 39376391
1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 7936761
1-[2-(2-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63005639
2-(2-butan-2-ylphenoxy)-1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethanone
CID 46413255
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43504036
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 39572448
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 103726740
2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 154743326
2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 43503608

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone (CID 18112391) is 1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone is CC(C)c1ccccc1OCC(=O)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone?
The InChIKey is GXPHWWJIOFDNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17(2)19-10-6-7-11-20(19)27-16-21(25)23-12-14-24(15-13-23)22(26)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3.
What are the key properties of 1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone?
1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone has a molecular weight of 366.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 18112391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).