1-acetyl-4-methylpiperazin-2-one;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone

C22H42N6O4 — CID 90700457

IUPAC1-acetyl-4-methylpiperazin-2-one;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C)CC1.CC(=O)N1CCN(C)CC1=O.CCN1CCN(C(C)=O)CC1
InChIInChI=1S/C8H16N2O.C7H12N2O2.C7H14N2O/c1-3-9-4-6-10(7-5-9)8(2)11;1-6(10)9-4-3-8(2)5-7(9)11;1-7(10)9-5-3-8(2)4-6-9/h3-7H2,1-2H3;3-5H2,1-2H3;3-6H2,1-2H3
InChIKeyPRQCNUNDVAFBAR-UHFFFAOYSA-N
MW454.62 g/mol
LogP-0.74
Rot. Bonds1

About 1-acetyl-4-methylpiperazin-2-one;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone

1-acetyl-4-methylpiperazin-2-one;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 90700457) has the molecular formula C22H42N6O4 and a molecular weight of 454.62 g/mol. Its IUPAC name is 1-acetyl-4-methylpiperazin-2-one;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-acetyl-4-methylpiperazin-2-one;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone
PubChem CID90700457
Molecular FormulaC22H42N6O4
Molecular Weight454.62 g/mol
Exact Mass454.33
IUPAC Name1-acetyl-4-methylpiperazin-2-one;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C)CC1.CC(=O)N1CCN(C)CC1=O.CCN1CCN(C(C)=O)CC1
InChIInChI=1S/C8H16N2O.C7H12N2O2.C7H14N2O/c1-3-9-4-6-10(7-5-9)8(2)11;1-6(10)9-4-3-8(2)5-7(9)11;1-7(10)9-5-3-8(2)4-6-9/h3-7H2,1-2H3;3-5H2,1-2H3;3-6H2,1-2H3
InChIKeyPRQCNUNDVAFBAR-UHFFFAOYSA-N
XLogP-0.74
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-acetyl-4-methylpiperazin-2-one;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

Icrf 158
CID 97592
1,2-Bis(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 515617
1-(4-Acetyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)ethanone
CID 134945833
CID 139045304
CID 139045304
2-(4-Methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]ethanone
CID 121262
2-[4-[2-[bis(3-methylbutyl)amino]-2-oxoethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]-N,N-bis(3-methylbutyl)acetamide
CID 3576906
2-[4-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 5165157
N,N-dimethyl-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide
CID 20676164
2-(4-ethyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)-N,N-dimethylacetamide
CID 59951058
1-[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 67675682
1-(4-Acetylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 69151636
2-(4-Acetylpiperazin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 70672247

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-methylpiperazin-2-one;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-acetyl-4-methylpiperazin-2-one;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone (CID 90700457) is 1-acetyl-4-methylpiperazin-2-one;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-acetyl-4-methylpiperazin-2-one;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-acetyl-4-methylpiperazin-2-one;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone is CC(=O)N1CCN(C)CC1.CC(=O)N1CCN(C)CC1=O.CCN1CCN(C(C)=O)CC1.
What is the InChIKey of 1-acetyl-4-methylpiperazin-2-one;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is PRQCNUNDVAFBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C7H12N2O2.C7H14N2O/c1-3-9-4-6-10(7-5-9)8(2)11;1-6(10)9-4-3-8(2)5-7(9)11;1-7(10)9-5-3-8(2)4-6-9/h3-7H2,1-2H3;3-5H2,1-2H3;3-6H2,1-2H3.
What are the key properties of 1-acetyl-4-methylpiperazin-2-one;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone?
1-acetyl-4-methylpiperazin-2-one;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 454.62 g/mol, XLogP of -0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-methylpiperazin-2-one;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 90700457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).