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

C12H23N3O2 — CID 78972991

IUPAC1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
SMILESCC(=O)N1CCN(C(=O)CNC(C)(C)C)CC1
InChIInChI=1S/C12H23N3O2/c1-10(16)14-5-7-15(8-6-14)11(17)9-13-12(2,3)4/h13H,5-9H2,1-4H3
InChIKeyVFMXOKIGCGLNKB-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.07
Rot. Bonds2

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

1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone (PubChem CID 78972991) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
PubChem CID78972991
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
SMILESCC(=O)N1CCN(C(=O)CNC(C)(C)C)CC1
InChIInChI=1S/C12H23N3O2/c1-10(16)14-5-7-15(8-6-14)11(17)9-13-12(2,3)4/h13H,5-9H2,1-4H3
InChIKeyVFMXOKIGCGLNKB-UHFFFAOYSA-N
XLogP0.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-(tert-butylamino)propan-1-one
CID 60894223
4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide
CID 112723929
2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 78928308
2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 112723927
2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103782621
2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone
CID 79036668
2-(tert-butylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 79256799
1-[2-(tert-butylamino)acetyl]-4-ethylpiperidine-4-carboxylic acid
CID 79257130
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(tert-butylamino)ethanone
CID 113220942
2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 79256800
N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 112730369
2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 115888267

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone (CID 78972991) is 1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone is CC(=O)N1CCN(C(=O)CNC(C)(C)C)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone?
The InChIKey is VFMXOKIGCGLNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10(16)14-5-7-15(8-6-14)11(17)9-13-12(2,3)4/h13H,5-9H2,1-4H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone has a molecular weight of 241.33 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone is sourced from PubChem (CID 78972991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).