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

C17H24N2O3 — CID 112977426

IUPAC1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(=O)N1CCN(C(=O)COc2ccccc2C(C)C)CC1
InChIInChI=1S/C17H24N2O3/c1-13(2)15-6-4-5-7-16(15)22-12-17(21)19-10-8-18(9-11-19)14(3)20/h4-7,13H,8-12H2,1-3H3
InChIKeyHAKHRVSGCHXRFE-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.88
Rot. Bonds4

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

1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone (PubChem CID 112977426) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
PubChem CID112977426
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(=O)N1CCN(C(=O)COc2ccccc2C(C)C)CC1
InChIInChI=1S/C17H24N2O3/c1-13(2)15-6-4-5-7-16(15)22-12-17(21)19-10-8-18(9-11-19)14(3)20/h4-7,13H,8-12H2,1-3H3
InChIKeyHAKHRVSGCHXRFE-UHFFFAOYSA-N
XLogP1.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 18112391
1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 39376391
1-(4-benzhydrylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 4945471
2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43504036
2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 154743326
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 103726740
2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 43503608
1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 35741660
1-[2-(2-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63005639
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-propan-2-ylphenoxy)ethanone
CID 81196263
1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 78767258
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone
CID 78930779

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone (CID 112977426) is 1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone is CC(=O)N1CCN(C(=O)COc2ccccc2C(C)C)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone?
The InChIKey is HAKHRVSGCHXRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(2)15-6-4-5-7-16(15)22-12-17(21)19-10-8-18(9-11-19)14(3)20/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone has a molecular weight of 304.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 112977426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).