2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone

C13H27N3O — CID 79256800

IUPAC2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)CNC(C)(C)C)CC1C
InChIInChI=1S/C13H27N3O/c1-6-15-7-8-16(10-11(15)2)12(17)9-14-13(3,4)5/h11,14H,6-10H2,1-5H3
InChIKeyUZYOFYUTFCWSJU-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.93
Rot. Bonds3

About 2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone

2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone (PubChem CID 79256800) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
PubChem CID79256800
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)CNC(C)(C)C)CC1C
InChIInChI=1S/C13H27N3O/c1-6-15-7-8-16(10-11(15)2)12(17)9-14-13(3,4)5/h11,14H,6-10H2,1-5H3
InChIKeyUZYOFYUTFCWSJU-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 79256799
2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one
CID 63635973
1-(4-ethyl-3-methylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112605165
4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65300311
2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 64590973
1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
CID 78972991
1-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxypropan-1-one
CID 112704602
4-amino-1-(4-ethyl-3-methylpiperazin-1-yl)butan-1-one
CID 63634215
2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112625258
2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one
CID 63633519
2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103782621
1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid
CID 79257373

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone (CID 79256800) is 2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)CNC(C)(C)C)CC1C.
What is the InChIKey of 2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone?
The InChIKey is UZYOFYUTFCWSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-6-15-7-8-16(10-11(15)2)12(17)9-14-13(3,4)5/h11,14H,6-10H2,1-5H3.
What are the key properties of 2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone?
2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone has a molecular weight of 241.38 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 79256800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).