1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one

C18H26N2O4 — CID 108568632

IUPAC1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)COc2ccccc2OCC)CC1
InChIInChI=1S/C18H26N2O4/c1-3-7-17(21)19-10-12-20(13-11-19)18(22)14-24-16-9-6-5-8-15(16)23-4-2/h5-6,8-9H,3-4,7,10-14H2,1-2H3
InChIKeyFXJUKFHDJCLPES-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.93
Rot. Bonds7

About 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one

1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one (PubChem CID 108568632) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one
PubChem CID108568632
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)COc2ccccc2OCC)CC1
InChIInChI=1S/C18H26N2O4/c1-3-7-17(21)19-10-12-20(13-11-19)18(22)14-24-16-9-6-5-8-15(16)23-4-2/h5-6,8-9H,3-4,7,10-14H2,1-2H3
InChIKeyFXJUKFHDJCLPES-UHFFFAOYSA-N
XLogP1.93
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 48866992
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108568641
2-(4-ethoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108536870
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
CID 106671784
2-(4-chlorophenyl)-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108568635
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 108534050
2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
CID 112788345
2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 108535595
2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119163920
1-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 108544654
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one (CID 108568632) is 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(C(=O)COc2ccccc2OCC)CC1.
What is the InChIKey of 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one?
The InChIKey is FXJUKFHDJCLPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-7-17(21)19-10-12-20(13-11-19)18(22)14-24-16-9-6-5-8-15(16)23-4-2/h5-6,8-9H,3-4,7,10-14H2,1-2H3.
What are the key properties of 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one?
1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one has a molecular weight of 334.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 108568632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).