3-(3,5-dioxopiperazin-1-yl)propanehydrazide

C7H12N4O3 — CID 66061045

IUPAC3-(3,5-dioxopiperazin-1-yl)propanehydrazide
SMILESNNC(=O)CCN1CC(=O)NC(=O)C1
InChIInChI=1S/C7H12N4O3/c8-10-5(12)1-2-11-3-6(13)9-7(14)4-11/h1-4,8H2,(H,10,12)(H,9,13,14)
InChIKeyVEYFYHNPSYCXLI-UHFFFAOYSA-N
MW200.20 g/mol
LogP-2.68
Rot. Bonds3

About 3-(3,5-dioxopiperazin-1-yl)propanehydrazide

3-(3,5-dioxopiperazin-1-yl)propanehydrazide (PubChem CID 66061045) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 3-(3,5-dioxopiperazin-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(3,5-dioxopiperazin-1-yl)propanehydrazide
PubChem CID66061045
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name3-(3,5-dioxopiperazin-1-yl)propanehydrazide
SMILESNNC(=O)CCN1CC(=O)NC(=O)C1
InChIInChI=1S/C7H12N4O3/c8-10-5(12)1-2-11-3-6(13)9-7(14)4-11/h1-4,8H2,(H,10,12)(H,9,13,14)
InChIKeyVEYFYHNPSYCXLI-UHFFFAOYSA-N
XLogP-2.68
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-2.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3-oxopiperazin-1-yl)propanehydrazide
CID 63570078
3-(3,5-dioxopiperazin-1-yl)propanoic acid
CID 66085521
3-(1,3-dihydroisoindol-2-yl)propanehydrazide
CID 63572405
3-(4,4-dimethylpiperidin-1-yl)propanehydrazide
CID 63573423
4-propylpiperazine-2,6-dione
CID 63787682
3-(2-oxo-1-pyridinyl)propanehydrazide
CID 43346089
4-(3,5-dioxopiperazin-1-yl)-2,2-dimethylbutanethioamide
CID 66084496
3-(4-aminopiperidin-1-yl)propanehydrazide
CID 63577535
5-(4-methyl-3-oxopiperazin-1-yl)pentanehydrazide
CID 64693968
4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione
CID 106708160
3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide
CID 63573915
5-(3,5-dioxopiperazin-1-yl)pentanenitrile
CID 66085661

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dioxopiperazin-1-yl)propanehydrazide?
The IUPAC name of 3-(3,5-dioxopiperazin-1-yl)propanehydrazide (CID 66061045) is 3-(3,5-dioxopiperazin-1-yl)propanehydrazide.
What is the SMILES notation for 3-(3,5-dioxopiperazin-1-yl)propanehydrazide?
The canonical SMILES for 3-(3,5-dioxopiperazin-1-yl)propanehydrazide is NNC(=O)CCN1CC(=O)NC(=O)C1.
What is the InChIKey of 3-(3,5-dioxopiperazin-1-yl)propanehydrazide?
The InChIKey is VEYFYHNPSYCXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c8-10-5(12)1-2-11-3-6(13)9-7(14)4-11/h1-4,8H2,(H,10,12)(H,9,13,14).
What are the key properties of 3-(3,5-dioxopiperazin-1-yl)propanehydrazide?
3-(3,5-dioxopiperazin-1-yl)propanehydrazide has a molecular weight of 200.20 g/mol, XLogP of -2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dioxopiperazin-1-yl)propanehydrazide is sourced from PubChem (CID 66061045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).