3-(3-oxopiperazin-1-yl)propanehydrazide

C7H14N4O2 — CID 63570078

IUPAC3-(3-oxopiperazin-1-yl)propanehydrazide
SMILESNNC(=O)CCN1CCNC(=O)C1
InChIInChI=1S/C7H14N4O2/c8-10-6(12)1-3-11-4-2-9-7(13)5-11/h1-5,8H2,(H,9,13)(H,10,12)
InChIKeyMGFFYJIUIQSJIV-UHFFFAOYSA-N
MW186.21 g/mol
LogP-2.20
Rot. Bonds3

About 3-(3-oxopiperazin-1-yl)propanehydrazide

3-(3-oxopiperazin-1-yl)propanehydrazide (PubChem CID 63570078) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-(3-oxopiperazin-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(3-oxopiperazin-1-yl)propanehydrazide
PubChem CID63570078
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name3-(3-oxopiperazin-1-yl)propanehydrazide
SMILESNNC(=O)CCN1CCNC(=O)C1
InChIInChI=1S/C7H14N4O2/c8-10-6(12)1-3-11-4-2-9-7(13)5-11/h1-5,8H2,(H,9,13)(H,10,12)
InChIKeyMGFFYJIUIQSJIV-UHFFFAOYSA-N
XLogP-2.20
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-2.20
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-(3-oxopiperazin-1-yl)propanehydrazide?
The IUPAC name of 3-(3-oxopiperazin-1-yl)propanehydrazide (CID 63570078) is 3-(3-oxopiperazin-1-yl)propanehydrazide.
What is the SMILES notation for 3-(3-oxopiperazin-1-yl)propanehydrazide?
The canonical SMILES for 3-(3-oxopiperazin-1-yl)propanehydrazide is NNC(=O)CCN1CCNC(=O)C1.
What is the InChIKey of 3-(3-oxopiperazin-1-yl)propanehydrazide?
The InChIKey is MGFFYJIUIQSJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c8-10-6(12)1-3-11-4-2-9-7(13)5-11/h1-5,8H2,(H,9,13)(H,10,12).
What are the key properties of 3-(3-oxopiperazin-1-yl)propanehydrazide?
3-(3-oxopiperazin-1-yl)propanehydrazide has a molecular weight of 186.21 g/mol, XLogP of -2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxopiperazin-1-yl)propanehydrazide is sourced from PubChem (CID 63570078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).