2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one

C13H27N3O — CID 63635973

IUPAC2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CCN(CC)C(C)C1
InChIInChI=1S/C13H27N3O/c1-6-14-13(4,5)12(17)16-9-8-15(7-2)11(3)10-16/h11,14H,6-10H2,1-5H3
InChIKeyAPINDSOOYLURDT-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.93
Rot. Bonds4

About 2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one

2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one (PubChem CID 63635973) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one
PubChem CID63635973
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CCN(CC)C(C)C1
InChIInChI=1S/C13H27N3O/c1-6-14-13(4,5)12(17)16-9-8-15(7-2)11(3)10-16/h11,14H,6-10H2,1-5H3
InChIKeyAPINDSOOYLURDT-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 79256800
2-(ethylamino)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 62941929
2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170525
2-(ethylamino)-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one
CID 62833188
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
CID 107220750
2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63167293
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
CID 62836073
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-(ethylamino)-2-methyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 63171741
2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one
CID 63626151
1-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxypropan-1-one
CID 112704602

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one (CID 63635973) is 2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one is CCNC(C)(C)C(=O)N1CCN(CC)C(C)C1.
What is the InChIKey of 2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one?
The InChIKey is APINDSOOYLURDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-6-14-13(4,5)12(17)16-9-8-15(7-2)11(3)10-16/h11,14H,6-10H2,1-5H3.
What are the key properties of 2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one?
2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one has a molecular weight of 241.38 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 63635973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).