1-morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone

C18H32N4O4+2 — CID 2394973

IUPAC1-morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone
SMILESO=C(C[N+]12CC[N+](CC(=O)N3CCOCC3)(CC1)CC2)N1CCOCC1
InChIInChI=1S/C18H32N4O4/c23-17(19-1-11-25-12-2-19)15-21-5-8-22(9-6-21,10-7-21)16-18(24)20-3-13-26-14-4-20/h1-16H2/q+2
InChIKeyIVADSZWBIUYQJY-UHFFFAOYSA-N
MW368.48 g/mol
LogP-1.64
Rot. Bonds4

About 1-morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone

1-morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone (PubChem CID 2394973) has the molecular formula C18H32N4O4+2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone
PubChem CID2394973
Molecular FormulaC18H32N4O4+2
Molecular Weight368.48 g/mol
Exact Mass368.24
IUPAC Name1-morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone
SMILESO=C(C[N+]12CC[N+](CC(=O)N3CCOCC3)(CC1)CC2)N1CCOCC1
InChIInChI=1S/C18H32N4O4/c23-17(19-1-11-25-12-2-19)15-21-5-8-22(9-6-21,10-7-21)16-18(24)20-3-13-26-14-4-20/h1-16H2/q+2
InChIKeyIVADSZWBIUYQJY-UHFFFAOYSA-N
XLogP-1.64
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 5-1.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Bimolane
CID 100708
1,4-Bis(morpholinoacetyl)piperazine
CID 265941
Piperidinium, 1,1'-(1,4-piperazinediylbis(carbonylmethylene))bis(1-methyl-, diiodide
CID 121261
2-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-yl)-2-fluoro-1-morpholin-4-ylethanone
CID 72722533
2-(4-Methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]ethanone
CID 121262
4-(Morpholin-4-ylmethyl)-1-[2-[4-(morpholin-4-ylmethyl)-2,6-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione
CID 139641398
2-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-yl)-1-morpholin-4-ylethanone
CID 141832867
1,4-Dimethylpiperazine;1,4-dimethylpiperazin-2-one;4-methylmorpholine;1-methylpiperazine;4-methylpiperazin-2-one;1-(4-methylpiperazin-1-yl)ethanone
CID 157087223
1-(4-Methylpiperazin-1-yl)ethanone;1-methyl-4-propan-2-ylpiperazine;1-morpholin-4-ylethanone;4-propan-2-ylmorpholine
CID 161338093
1-Morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone dichloride
CID 16248127
2-Morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone;dihydrochloride
CID 44783828
1-Morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 55356555

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone (CID 2394973) is 1-morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone is O=C(C[N+]12CC[N+](CC(=O)N3CCOCC3)(CC1)CC2)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone?
The InChIKey is IVADSZWBIUYQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O4/c23-17(19-1-11-25-12-2-19)15-21-5-8-22(9-6-21,10-7-21)16-18(24)20-3-13-26-14-4-20/h1-16H2/q+2.
What are the key properties of 1-morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone?
1-morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone has a molecular weight of 368.48 g/mol, XLogP of -1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone is sourced from PubChem (CID 2394973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).