3-piperazin-1-ylpropanehydrazide

C7H16N4O — CID 63585080

IUPAC3-piperazin-1-ylpropanehydrazide
SMILESNNC(=O)CCN1CCNCC1
InChIInChI=1S/C7H16N4O/c8-10-7(12)1-4-11-5-2-9-3-6-11/h9H,1-6,8H2,(H,10,12)
InChIKeyXSFXPIVLBPJBPG-UHFFFAOYSA-N
MW172.23 g/mol
LogP-1.73
Rot. Bonds3

About 3-piperazin-1-ylpropanehydrazide

3-piperazin-1-ylpropanehydrazide (PubChem CID 63585080) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-piperazin-1-ylpropanehydrazide.

Molecular Properties

Compound Name3-piperazin-1-ylpropanehydrazide
PubChem CID63585080
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name3-piperazin-1-ylpropanehydrazide
SMILESNNC(=O)CCN1CCNCC1
InChIInChI=1S/C7H16N4O/c8-10-7(12)1-4-11-5-2-9-3-6-11/h9H,1-6,8H2,(H,10,12)
InChIKeyXSFXPIVLBPJBPG-UHFFFAOYSA-N
XLogP-1.73
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-1.73
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 3-piperazin-1-ylpropanehydrazide?
The IUPAC name of 3-piperazin-1-ylpropanehydrazide (CID 63585080) is 3-piperazin-1-ylpropanehydrazide.
What is the SMILES notation for 3-piperazin-1-ylpropanehydrazide?
The canonical SMILES for 3-piperazin-1-ylpropanehydrazide is NNC(=O)CCN1CCNCC1.
What is the InChIKey of 3-piperazin-1-ylpropanehydrazide?
The InChIKey is XSFXPIVLBPJBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c8-10-7(12)1-4-11-5-2-9-3-6-11/h9H,1-6,8H2,(H,10,12).
What are the key properties of 3-piperazin-1-ylpropanehydrazide?
3-piperazin-1-ylpropanehydrazide has a molecular weight of 172.23 g/mol, XLogP of -1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylpropanehydrazide is sourced from PubChem (CID 63585080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).