5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide

C12H22N4O3 — CID 79942052

IUPAC5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide
SMILESCCCN1CC(=O)N(CCCCC(=O)NN)CC1=O
InChIInChI=1S/C12H22N4O3/c1-2-6-15-8-12(19)16(9-11(15)18)7-4-3-5-10(17)14-13/h2-9,13H2,1H3,(H,14,17)
InChIKeyNHQVEGIXYOILBZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.77
Rot. Bonds7

About 5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide

5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide (PubChem CID 79942052) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide
PubChem CID79942052
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide
SMILESCCCN1CC(=O)N(CCCCC(=O)NN)CC1=O
InChIInChI=1S/C12H22N4O3/c1-2-6-15-8-12(19)16(9-11(15)18)7-4-3-5-10(17)14-13/h2-9,13H2,1H3,(H,14,17)
InChIKeyNHQVEGIXYOILBZ-UHFFFAOYSA-N
XLogP-0.77
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide?
The IUPAC name of 5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide (CID 79942052) is 5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide?
The canonical SMILES for 5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide is CCCN1CC(=O)N(CCCCC(=O)NN)CC1=O.
What is the InChIKey of 5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide?
The InChIKey is NHQVEGIXYOILBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-2-6-15-8-12(19)16(9-11(15)18)7-4-3-5-10(17)14-13/h2-9,13H2,1H3,(H,14,17).
What are the key properties of 5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide?
5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide has a molecular weight of 270.33 g/mol, XLogP of -0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide is sourced from PubChem (CID 79942052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).