1-(2-methoxyethyl)piperazin-2-one;tris(2,2,2-trifluoroacetic acid)

C13H17F9N2O8 — CID 172847826

IUPAC1-(2-methoxyethyl)piperazin-2-one;tris(2,2,2-trifluoroacetic acid)
SMILESCOCCN1CCNCC1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O2.3C2HF3O2/c1-11-5-4-9-3-2-8-6-7(9)10;3*3-2(4,5)1(6)7/h8H,2-6H2,1H3;3*(H,6,7)
InChIKeyXQZMBEXPLHJSEQ-UHFFFAOYSA-N
MW500.27 g/mol
LogP0.96
Rot. Bonds3

About 1-(2-methoxyethyl)piperazin-2-one;tris(2,2,2-trifluoroacetic acid)

1-(2-methoxyethyl)piperazin-2-one;tris(2,2,2-trifluoroacetic acid) (PubChem CID 172847826) has the molecular formula C13H17F9N2O8 and a molecular weight of 500.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)piperazin-2-one;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(2-methoxyethyl)piperazin-2-one;tris(2,2,2-trifluoroacetic acid)
PubChem CID172847826
Molecular FormulaC13H17F9N2O8
Molecular Weight500.27 g/mol
Exact Mass500.08
IUPAC Name1-(2-methoxyethyl)piperazin-2-one;tris(2,2,2-trifluoroacetic acid)
SMILESCOCCN1CCNCC1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O2.3C2HF3O2/c1-11-5-4-9-3-2-8-6-7(9)10;3*3-2(4,5)1(6)7/h8H,2-6H2,1H3;3*(H,6,7)
InChIKeyXQZMBEXPLHJSEQ-UHFFFAOYSA-N
XLogP0.96
TPSA153.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.27
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-(2-oxopiperazin-1-yl)acetate; trifluoroacetic acid
CID 165456636
Ethyl 4-(2-trifluoroacetamidoethyl)piperazine-1-acetate
CID 53726615
Ethyl 2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]acetate
CID 57692999
1-(2-Methoxy-ethyl)-2-oxopiperazine trifluoroacetic acid salt
CID 67374896
1-(2-Methoxyethyl)piperazine;2,2,2-trifluoroacetic acid
CID 67376513
2-Morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 68772351
Glycyl glycine methyl ester trifluoroacetate
CID 86671345
1-Ethylpiperazin-2-one;2,2,2-trifluoroacetic acid
CID 87064112
2-amino-N-(3-morpholin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid
CID 87723469
N-methyl-N-(2-piperazin-1-ylethyl)acetamide;2,2,2-trifluoroacetic acid
CID 89106919
[2-(2-Oxopiperazin-1-yl)acetyl] 2,2,2-trifluoroacetate
CID 138689841
2-(Dimethylamino)-1-piperazin-1-ylethanone;bis(2,2,2-trifluoroacetic acid)
CID 154943080

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)piperazin-2-one;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(2-methoxyethyl)piperazin-2-one;tris(2,2,2-trifluoroacetic acid) (CID 172847826) is 1-(2-methoxyethyl)piperazin-2-one;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(2-methoxyethyl)piperazin-2-one;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(2-methoxyethyl)piperazin-2-one;tris(2,2,2-trifluoroacetic acid) is COCCN1CCNCC1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-methoxyethyl)piperazin-2-one;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is XQZMBEXPLHJSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.3C2HF3O2/c1-11-5-4-9-3-2-8-6-7(9)10;3*3-2(4,5)1(6)7/h8H,2-6H2,1H3;3*(H,6,7).
What are the key properties of 1-(2-methoxyethyl)piperazin-2-one;tris(2,2,2-trifluoroacetic acid)?
1-(2-methoxyethyl)piperazin-2-one;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 500.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)piperazin-2-one;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 172847826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).