2-[2-[4-[4-(2-ethoxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]acetamide

C17H29N5O6 — CID 169159310

IUPAC2-[2-[4-[4-(2-ethoxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]acetamide
SMILESCCOCC(=O)N1CCN(C(=O)N2CCN(C(=O)COCC(N)=O)CC2)CC1
InChIInChI=1S/C17H29N5O6/c1-2-27-12-15(24)19-3-7-21(8-4-19)17(26)22-9-5-20(6-10-22)16(25)13-28-11-14(18)23/h2-13H2,1H3,(H2,18,23)
InChIKeyXMOVSLULEXYBGW-UHFFFAOYSA-N
MW399.45 g/mol
LogP-2.07
Rot. Bonds7

About 2-[2-[4-[4-(2-ethoxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]acetamide

2-[2-[4-[4-(2-ethoxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]acetamide (PubChem CID 169159310) has the molecular formula C17H29N5O6 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[2-[4-[4-(2-ethoxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[4-[4-(2-ethoxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]acetamide
PubChem CID169159310
Molecular FormulaC17H29N5O6
Molecular Weight399.45 g/mol
Exact Mass399.21
IUPAC Name2-[2-[4-[4-(2-ethoxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]acetamide
SMILESCCOCC(=O)N1CCN(C(=O)N2CCN(C(=O)COCC(N)=O)CC2)CC1
InChIInChI=1S/C17H29N5O6/c1-2-27-12-15(24)19-3-7-21(8-4-19)17(26)22-9-5-20(6-10-22)16(25)13-28-11-14(18)23/h2-13H2,1H3,(H2,18,23)
InChIKeyXMOVSLULEXYBGW-UHFFFAOYSA-N
XLogP-2.07
TPSA125.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 5-2.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-(2-ethoxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]acetamide?
The IUPAC name of 2-[2-[4-[4-(2-ethoxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]acetamide (CID 169159310) is 2-[2-[4-[4-(2-ethoxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]acetamide.
What is the SMILES notation for 2-[2-[4-[4-(2-ethoxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]acetamide?
The canonical SMILES for 2-[2-[4-[4-(2-ethoxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]acetamide is CCOCC(=O)N1CCN(C(=O)N2CCN(C(=O)COCC(N)=O)CC2)CC1.
What is the InChIKey of 2-[2-[4-[4-(2-ethoxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]acetamide?
The InChIKey is XMOVSLULEXYBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O6/c1-2-27-12-15(24)19-3-7-21(8-4-19)17(26)22-9-5-20(6-10-22)16(25)13-28-11-14(18)23/h2-13H2,1H3,(H2,18,23).
What are the key properties of 2-[2-[4-[4-(2-ethoxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]acetamide?
2-[2-[4-[4-(2-ethoxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]acetamide has a molecular weight of 399.45 g/mol, XLogP of -2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[4-(2-ethoxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]acetamide is sourced from PubChem (CID 169159310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).