4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide

C11H20N4O3 — CID 63572222

IUPAC4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide
SMILESCCN1CCN(C(C)CCC(=O)NN)C(=O)C1=O
InChIInChI=1S/C11H20N4O3/c1-3-14-6-7-15(11(18)10(14)17)8(2)4-5-9(16)13-12/h8H,3-7,12H2,1-2H3,(H,13,16)
InChIKeyZWHWROCOTXULQE-UHFFFAOYSA-N
MW256.31 g/mol
LogP-1.16
Rot. Bonds5

About 4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide

4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide (PubChem CID 63572222) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide
PubChem CID63572222
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide
SMILESCCN1CCN(C(C)CCC(=O)NN)C(=O)C1=O
InChIInChI=1S/C11H20N4O3/c1-3-14-6-7-15(11(18)10(14)17)8(2)4-5-9(16)13-12/h8H,3-7,12H2,1-2H3,(H,13,16)
InChIKeyZWHWROCOTXULQE-UHFFFAOYSA-N
XLogP-1.16
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide?
The IUPAC name of 4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide (CID 63572222) is 4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide.
What is the SMILES notation for 4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide?
The canonical SMILES for 4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide is CCN1CCN(C(C)CCC(=O)NN)C(=O)C1=O.
What is the InChIKey of 4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide?
The InChIKey is ZWHWROCOTXULQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-3-14-6-7-15(11(18)10(14)17)8(2)4-5-9(16)13-12/h8H,3-7,12H2,1-2H3,(H,13,16).
What are the key properties of 4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide?
4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide has a molecular weight of 256.31 g/mol, XLogP of -1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide is sourced from PubChem (CID 63572222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).