1-methyl-4-piperazin-1-ylpyrazolidine-3,5-dione

C8H14N4O2 — CID 82647062

IUPAC1-methyl-4-piperazin-1-ylpyrazolidine-3,5-dione
SMILESCN1NC(=O)C(N2CCNCC2)C1=O
InChIInChI=1S/C8H14N4O2/c1-11-8(14)6(7(13)10-11)12-4-2-9-3-5-12/h6,9H,2-5H2,1H3,(H,10,13)
InChIKeyUQTHVECVFVFKOG-UHFFFAOYSA-N
MW198.23 g/mol
LogP-2.24
Rot. Bonds1

About 1-methyl-4-piperazin-1-ylpyrazolidine-3,5-dione

1-methyl-4-piperazin-1-ylpyrazolidine-3,5-dione (PubChem CID 82647062) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 1-methyl-4-piperazin-1-ylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name1-methyl-4-piperazin-1-ylpyrazolidine-3,5-dione
PubChem CID82647062
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name1-methyl-4-piperazin-1-ylpyrazolidine-3,5-dione
SMILESCN1NC(=O)C(N2CCNCC2)C1=O
InChIInChI=1S/C8H14N4O2/c1-11-8(14)6(7(13)10-11)12-4-2-9-3-5-12/h6,9H,2-5H2,1H3,(H,10,13)
InChIKeyUQTHVECVFVFKOG-UHFFFAOYSA-N
XLogP-2.24
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-2.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-piperazin-1-ylpyrazolidine-3,5-dione?
The IUPAC name of 1-methyl-4-piperazin-1-ylpyrazolidine-3,5-dione (CID 82647062) is 1-methyl-4-piperazin-1-ylpyrazolidine-3,5-dione.
What is the SMILES notation for 1-methyl-4-piperazin-1-ylpyrazolidine-3,5-dione?
The canonical SMILES for 1-methyl-4-piperazin-1-ylpyrazolidine-3,5-dione is CN1NC(=O)C(N2CCNCC2)C1=O.
What is the InChIKey of 1-methyl-4-piperazin-1-ylpyrazolidine-3,5-dione?
The InChIKey is UQTHVECVFVFKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-11-8(14)6(7(13)10-11)12-4-2-9-3-5-12/h6,9H,2-5H2,1H3,(H,10,13).
What are the key properties of 1-methyl-4-piperazin-1-ylpyrazolidine-3,5-dione?
1-methyl-4-piperazin-1-ylpyrazolidine-3,5-dione has a molecular weight of 198.23 g/mol, XLogP of -2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-piperazin-1-ylpyrazolidine-3,5-dione is sourced from PubChem (CID 82647062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).