1-(4-methylpiperazin-1-yl)ethanone;1-methyl-4-propan-2-ylpiperazine;1-morpholin-4-ylethanone;4-propan-2-ylmorpholine

C28H58N6O4 — CID 161338093

IUPAC1-(4-methylpiperazin-1-yl)ethanone;1-methyl-4-propan-2-ylpiperazine;1-morpholin-4-ylethanone;4-propan-2-ylmorpholine
SMILESCC(=O)N1CCN(C)CC1.CC(=O)N1CCOCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H18N2.C7H14N2O.C7H15NO.C6H11NO2/c1-8(2)10-6-4-9(3)5-7-10;1-7(10)9-5-3-8(2)4-6-9;1-7(2)8-3-5-9-6-4-8;1-6(8)7-2-4-9-5-3-7/h8H,4-7H2,1-3H3;3-6H2,1-2H3;7H,3-6H2,1-2H3;2-5H2,1H3
InChIKeyVMHNKWMNVOIRMS-UHFFFAOYSA-N
MW542.81 g/mol
LogP1.01
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)ethanone;1-methyl-4-propan-2-ylpiperazine;1-morpholin-4-ylethanone;4-propan-2-ylmorpholine

1-(4-methylpiperazin-1-yl)ethanone;1-methyl-4-propan-2-ylpiperazine;1-morpholin-4-ylethanone;4-propan-2-ylmorpholine (PubChem CID 161338093) has the molecular formula C28H58N6O4 and a molecular weight of 542.81 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)ethanone;1-methyl-4-propan-2-ylpiperazine;1-morpholin-4-ylethanone;4-propan-2-ylmorpholine.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)ethanone;1-methyl-4-propan-2-ylpiperazine;1-morpholin-4-ylethanone;4-propan-2-ylmorpholine
PubChem CID161338093
Molecular FormulaC28H58N6O4
Molecular Weight542.81 g/mol
Exact Mass542.45
IUPAC Name1-(4-methylpiperazin-1-yl)ethanone;1-methyl-4-propan-2-ylpiperazine;1-morpholin-4-ylethanone;4-propan-2-ylmorpholine
SMILESCC(=O)N1CCN(C)CC1.CC(=O)N1CCOCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H18N2.C7H14N2O.C7H15NO.C6H11NO2/c1-8(2)10-6-4-9(3)5-7-10;1-7(10)9-5-3-8(2)4-6-9;1-7(2)8-3-5-9-6-4-8;1-6(8)7-2-4-9-5-3-7/h8H,4-7H2,1-3H3;3-6H2,1-2H3;7H,3-6H2,1-2H3;2-5H2,1H3
InChIKeyVMHNKWMNVOIRMS-UHFFFAOYSA-N
XLogP1.01
TPSA72.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.81
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

4,4'-(1-Methyl-1,2-ethanediyl)bis(1-(4-morpholinylmethyl)-2,6-piperazinedione)
CID 125610
2,6-Piperazindedione, 4,4'-(1,2-dimethyl-1,2-ethanediyl)bis(1-(4-morpholinylmethyl)-, (R*,S*)-
CID 3065413
Morpholinium, 4,4'-(1,4-piperazinediylbis(1-oxopropylene))bis(4-methyl-, diiodide
CID 199521
3-(4-Methylmorpholin-4-ium-4-yl)-1-[4-[3-(4-methylmorpholin-4-ium-4-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 121258
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-Methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 199522
2-(4-Methylmorpholin-4-ium-4-yl)-1-[4-[3-(4-methylmorpholin-4-ium-4-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 24840362
1-Morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone
CID 2394973
1-(Morpholin-4-ylmethyl)-4-[3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione
CID 13934478
1-(Morpholin-4-ylmethyl)-4-[2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butyl]piperazine-2,6-dione
CID 20144295
2-[4-(2-Morpholin-4-ylethyl)piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 58826254
3-Methyl-4-[2-(2-methyl-4-morpholin-4-yl-3,5-dioxopiperazin-1-yl)ethyl]-1-morpholin-4-ylpiperazine-2,6-dione
CID 70351899

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)ethanone;1-methyl-4-propan-2-ylpiperazine;1-morpholin-4-ylethanone;4-propan-2-ylmorpholine?
The IUPAC name of 1-(4-methylpiperazin-1-yl)ethanone;1-methyl-4-propan-2-ylpiperazine;1-morpholin-4-ylethanone;4-propan-2-ylmorpholine (CID 161338093) is 1-(4-methylpiperazin-1-yl)ethanone;1-methyl-4-propan-2-ylpiperazine;1-morpholin-4-ylethanone;4-propan-2-ylmorpholine.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)ethanone;1-methyl-4-propan-2-ylpiperazine;1-morpholin-4-ylethanone;4-propan-2-ylmorpholine?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)ethanone;1-methyl-4-propan-2-ylpiperazine;1-morpholin-4-ylethanone;4-propan-2-ylmorpholine is CC(=O)N1CCN(C)CC1.CC(=O)N1CCOCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)ethanone;1-methyl-4-propan-2-ylpiperazine;1-morpholin-4-ylethanone;4-propan-2-ylmorpholine?
The InChIKey is VMHNKWMNVOIRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C7H14N2O.C7H15NO.C6H11NO2/c1-8(2)10-6-4-9(3)5-7-10;1-7(10)9-5-3-8(2)4-6-9;1-7(2)8-3-5-9-6-4-8;1-6(8)7-2-4-9-5-3-7/h8H,4-7H2,1-3H3;3-6H2,1-2H3;7H,3-6H2,1-2H3;2-5H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)ethanone;1-methyl-4-propan-2-ylpiperazine;1-morpholin-4-ylethanone;4-propan-2-ylmorpholine?
1-(4-methylpiperazin-1-yl)ethanone;1-methyl-4-propan-2-ylpiperazine;1-morpholin-4-ylethanone;4-propan-2-ylmorpholine has a molecular weight of 542.81 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)ethanone;1-methyl-4-propan-2-ylpiperazine;1-morpholin-4-ylethanone;4-propan-2-ylmorpholine is sourced from PubChem (CID 161338093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).