4-oxo-4-piperazin-1-ylbutanehydrazide

C8H16N4O2 — CID 2760266

IUPAC4-oxo-4-piperazin-1-ylbutanehydrazide
SMILESNNC(=O)CCC(=O)N1CCNCC1
InChIInChI=1S/C8H16N4O2/c9-11-7(13)1-2-8(14)12-5-3-10-4-6-12/h10H,1-6,9H2,(H,11,13)
InChIKeyAROFYQISRSAJMM-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.81
Rot. Bonds3

About 4-oxo-4-piperazin-1-ylbutanehydrazide

4-oxo-4-piperazin-1-ylbutanehydrazide (PubChem CID 2760266) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-oxo-4-piperazin-1-ylbutanehydrazide.

Molecular Properties

Compound Name4-oxo-4-piperazin-1-ylbutanehydrazide
PubChem CID2760266
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name4-oxo-4-piperazin-1-ylbutanehydrazide
SMILESNNC(=O)CCC(=O)N1CCNCC1
InChIInChI=1S/C8H16N4O2/c9-11-7(13)1-2-8(14)12-5-3-10-4-6-12/h10H,1-6,9H2,(H,11,13)
InChIKeyAROFYQISRSAJMM-UHFFFAOYSA-N
XLogP-1.81
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-oxo-4-piperazin-1-ylbutanehydrazide?
The IUPAC name of 4-oxo-4-piperazin-1-ylbutanehydrazide (CID 2760266) is 4-oxo-4-piperazin-1-ylbutanehydrazide.
What is the SMILES notation for 4-oxo-4-piperazin-1-ylbutanehydrazide?
The canonical SMILES for 4-oxo-4-piperazin-1-ylbutanehydrazide is NNC(=O)CCC(=O)N1CCNCC1.
What is the InChIKey of 4-oxo-4-piperazin-1-ylbutanehydrazide?
The InChIKey is AROFYQISRSAJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c9-11-7(13)1-2-8(14)12-5-3-10-4-6-12/h10H,1-6,9H2,(H,11,13).
What are the key properties of 4-oxo-4-piperazin-1-ylbutanehydrazide?
4-oxo-4-piperazin-1-ylbutanehydrazide has a molecular weight of 200.24 g/mol, XLogP of -1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-piperazin-1-ylbutanehydrazide is sourced from PubChem (CID 2760266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).