1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone

C10H19N3O3 — CID 60947029

IUPAC1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCN(C(=O)COC)CC1
InChIInChI=1S/C10H19N3O3/c1-11-7-9(14)12-3-5-13(6-4-12)10(15)8-16-2/h11H,3-8H2,1-2H3
InChIKeyXLLIEKHOGGOCNM-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.48
Rot. Bonds4

About 1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone

1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone (PubChem CID 60947029) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone
PubChem CID60947029
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCN(C(=O)COC)CC1
InChIInChI=1S/C10H19N3O3/c1-11-7-9(14)12-3-5-13(6-4-12)10(15)8-16-2/h11H,3-8H2,1-2H3
InChIKeyXLLIEKHOGGOCNM-UHFFFAOYSA-N
XLogP-1.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone (CID 60947029) is 1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCN(C(=O)COC)CC1.
What is the InChIKey of 1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone?
The InChIKey is XLLIEKHOGGOCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-11-7-9(14)12-3-5-13(6-4-12)10(15)8-16-2/h11H,3-8H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone?
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone has a molecular weight of 229.28 g/mol, XLogP of -1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 60947029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).