ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate

C13H22N4O4 — CID 28507309

IUPACethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(=O)N2CCNCC2)CC1
InChIInChI=1S/C13H22N4O4/c1-2-21-13(20)17-9-7-16(8-10-17)12(19)11(18)15-5-3-14-4-6-15/h14H,2-10H2,1H3
InChIKeyYOFJIMZKVYAGEZ-UHFFFAOYSA-N
MW298.34 g/mol
LogP-1.28
Rot. Bonds1

About ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate

ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate (PubChem CID 28507309) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate
PubChem CID28507309
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Nameethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(=O)N2CCNCC2)CC1
InChIInChI=1S/C13H22N4O4/c1-2-21-13(20)17-9-7-16(8-10-17)12(19)11(18)15-5-3-14-4-6-15/h14H,2-10H2,1H3
InChIKeyYOFJIMZKVYAGEZ-UHFFFAOYSA-N
XLogP-1.28
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate (CID 28507309) is ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C(=O)N2CCNCC2)CC1.
What is the InChIKey of ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate?
The InChIKey is YOFJIMZKVYAGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-2-21-13(20)17-9-7-16(8-10-17)12(19)11(18)15-5-3-14-4-6-15/h14H,2-10H2,1H3.
What are the key properties of ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate?
ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate has a molecular weight of 298.34 g/mol, XLogP of -1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate is sourced from PubChem (CID 28507309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).