3-(4-methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]propan-1-one

C19H36N4O4+2 — CID 24840364

IUPAC3-(4-methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]propan-1-one
SMILESC[N+]1(CCC(=O)N2CCN(C(=O)C[N+]3(C)CCOCC3)CC2)CCOCC1
InChIInChI=1S/C19H36N4O4/c1-22(9-13-26-14-10-22)8-3-18(24)20-4-6-21(7-5-20)19(25)17-23(2)11-15-27-16-12-23/h3-17H2,1-2H3/q+2
InChIKeyPZOJDXWKESHOTA-UHFFFAOYSA-N
MW384.52 g/mol
LogP-1.00
Rot. Bonds5

About 3-(4-methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]propan-1-one

3-(4-methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 24840364) has the molecular formula C19H36N4O4+2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-(4-methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]propan-1-one
PubChem CID24840364
Molecular FormulaC19H36N4O4+2
Molecular Weight384.52 g/mol
Exact Mass384.27
IUPAC Name3-(4-methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]propan-1-one
SMILESC[N+]1(CCC(=O)N2CCN(C(=O)C[N+]3(C)CCOCC3)CC2)CCOCC1
InChIInChI=1S/C19H36N4O4/c1-22(9-13-26-14-10-22)8-3-18(24)20-4-6-21(7-5-20)19(25)17-23(2)11-15-27-16-12-23/h3-17H2,1-2H3/q+2
InChIKeyPZOJDXWKESHOTA-UHFFFAOYSA-N
XLogP-1.00
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 5-1.00
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

1,4-Bis(morpholinoacetyl)piperazine
CID 265941
Morpholinium, 4,4'-(1,4-piperazinediylbis(carbonylethylene))bis(4-methyl-, diiodide
CID 121257
Morpholinium, 4,4'-(1,4-piperazinediylbis(carbonylethylene))bis(4-methyl-, dibromide
CID 121259
Piperidinium, 1,1'-(1,4-piperazinediylbis(carbonylmethylene))bis(1-methyl-, diiodide
CID 121261
Morpholinium, 4,4'-(1,4-piperazinediylbis(1-oxopropylene))bis(4-methyl-, diiodide
CID 199521
Morpholinium, 4-methyl-4-(1-methyl-2-(4-(3-(4-methylmorpholinium-4-yl)-1-oxopropyl)-1-piperazinyl)-2-oxoethyl)-, diiodide
CID 24840361
Morpholinium, 4-methyl-4-(3-(4-((4-methylmorpholinium-4-yl)acetyl)-1-piperazinyl)-3-oxopropyl)-, diiodide
CID 24840363
N,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide
CID 102562548
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]propan-1-one (CID 24840364) is 3-(4-methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]propan-1-one is C[N+]1(CCC(=O)N2CCN(C(=O)C[N+]3(C)CCOCC3)CC2)CCOCC1.
What is the InChIKey of 3-(4-methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is PZOJDXWKESHOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O4/c1-22(9-13-26-14-10-22)8-3-18(24)20-4-6-21(7-5-20)19(25)17-23(2)11-15-27-16-12-23/h3-17H2,1-2H3/q+2.
What are the key properties of 3-(4-methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]propan-1-one?
3-(4-methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 384.52 g/mol, XLogP of -1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 24840364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).