1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone

C18H26N2O3 — CID 78767794

IUPAC1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone
SMILESCC(=O)N1CCN(C(=O)COc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-14(21)19-9-11-20(12-10-19)17(22)13-23-16-7-5-15(6-8-16)18(2,3)4/h5-8H,9-13H2,1-4H3
InChIKeyOYUGESINACVQOE-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.05
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone

1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone (PubChem CID 78767794) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone
PubChem CID78767794
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone
SMILESCC(=O)N1CCN(C(=O)COc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-14(21)19-9-11-20(12-10-19)17(22)13-23-16-7-5-15(6-8-16)18(2,3)4/h5-8H,9-13H2,1-4H3
InChIKeyOYUGESINACVQOE-UHFFFAOYSA-N
XLogP2.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone with MolForge

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Related Compounds

2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113076572
2-(4-tert-butylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 39867855
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone
CID 2634555
1-[4-[4-(4-tert-butylphenoxy)butanoyl]piperazin-1-yl]pentane-1,4-dione
CID 108536229
7-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-3-(4-tert-butylphenyl)chromen-4-one
CID 121309110
2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31426677
4-[4-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]phenyl]butan-2-one
CID 55399530
1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 134061611
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554173
1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 51142094

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone (CID 78767794) is 1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone is CC(=O)N1CCN(C(=O)COc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone?
The InChIKey is OYUGESINACVQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14(21)19-9-11-20(12-10-19)17(22)13-23-16-7-5-15(6-8-16)18(2,3)4/h5-8H,9-13H2,1-4H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone has a molecular weight of 318.42 g/mol, XLogP of 2.05, 3 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-(4-tert-butylphenoxy)ethanone is sourced from PubChem (CID 78767794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).