2-morpholin-4-ium-4-yl-1-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-yl]ethanone

C16H30N4O4+2 — CID 6993978

IUPAC2-morpholin-4-ium-4-yl-1-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-yl]ethanone
SMILESO=C(C[NH+]1CCOCC1)N1CCN(C(=O)C[NH+]2CCOCC2)CC1
InChIInChI=1S/C16H28N4O4/c21-15(13-17-5-9-23-10-6-17)19-1-2-20(4-3-19)16(22)14-18-7-11-24-12-8-18/h1-14H2/p+2
InChIKeyWBCDLWBJYSNKGA-UHFFFAOYSA-P
MW342.44 g/mol
LogP-4.51
Rot. Bonds4

About 2-morpholin-4-ium-4-yl-1-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-yl]ethanone

2-morpholin-4-ium-4-yl-1-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-yl]ethanone (PubChem CID 6993978) has the molecular formula C16H30N4O4+2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-morpholin-4-ium-4-yl-1-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-ium-4-yl-1-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-yl]ethanone
PubChem CID6993978
Molecular FormulaC16H30N4O4+2
Molecular Weight342.44 g/mol
Exact Mass342.23
IUPAC Name2-morpholin-4-ium-4-yl-1-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-yl]ethanone
SMILESO=C(C[NH+]1CCOCC1)N1CCN(C(=O)C[NH+]2CCOCC2)CC1
InChIInChI=1S/C16H28N4O4/c21-15(13-17-5-9-23-10-6-17)19-1-2-20(4-3-19)16(22)14-18-7-11-24-12-8-18/h1-14H2/p+2
InChIKeyWBCDLWBJYSNKGA-UHFFFAOYSA-P
XLogP-4.51
TPSA67.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 5-4.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-morpholin-4-ium-4-yl-1-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-(Morpholinocarbonylmethyl)piperazine
CID 100622
N,N'-1,2-ethanediylbis[2-(4-morpholinyl)acetamide]
CID 2922084
1,4-Bis(morpholinoacetyl)piperazine
CID 265941
4-[Oxo(piperazin-1-yl)acetyl]morpholine
CID 7131953
Piperidinium, 1,1'-(1,4-piperazinediylbis(carbonylmethylene))bis(1-methyl-, diiodide
CID 121261
2-(Morpholin-4-yl)-1-(piperazin-1-yl)ethan-1-one
CID 16227632
1-[2-[2-[2-(2,6-Dioxopiperazin-1-yl)ethoxy]ethoxy]ethyl]piperazine-2,6-dione
CID 137652093
1-(Morpholin-4-yl)-2-(piperazin-1-yl)ethan-1-one dihydrochloride
CID 16413967
1-(2-Morpholin-4-ylethyl)piperazine-2,6-dione
CID 66063624
N,N'-bis[2-(morpholin-4-yl)ethyl]ethanediamide
CID 3136337
Oxalic acid, diamide N,N'-bis(N-(3-morpholinyl)propyl)-
CID 6421827
N-(2-morpholin-4-ylethyl)-2-[4,7,10-tris[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 12997587

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ium-4-yl-1-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-morpholin-4-ium-4-yl-1-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-yl]ethanone (CID 6993978) is 2-morpholin-4-ium-4-yl-1-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-ium-4-yl-1-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-4-ium-4-yl-1-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-yl]ethanone is O=C(C[NH+]1CCOCC1)N1CCN(C(=O)C[NH+]2CCOCC2)CC1.
What is the InChIKey of 2-morpholin-4-ium-4-yl-1-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-yl]ethanone?
The InChIKey is WBCDLWBJYSNKGA-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H28N4O4/c21-15(13-17-5-9-23-10-6-17)19-1-2-20(4-3-19)16(22)14-18-7-11-24-12-8-18/h1-14H2/p+2.
What are the key properties of 2-morpholin-4-ium-4-yl-1-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-yl]ethanone?
2-morpholin-4-ium-4-yl-1-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-yl]ethanone has a molecular weight of 342.44 g/mol, XLogP of -4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ium-4-yl-1-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 6993978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).