4-propylpiperazine-2,6-dione

C7H12N2O2 — CID 63787682

IUPAC4-propylpiperazine-2,6-dione
SMILESCCCN1CC(=O)NC(=O)C1
InChIInChI=1S/C7H12N2O2/c1-2-3-9-4-6(10)8-7(11)5-9/h2-5H2,1H3,(H,8,10,11)
InChIKeyZNMRJRNIACIPOR-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.65
Rot. Bonds2

About 4-propylpiperazine-2,6-dione

4-propylpiperazine-2,6-dione (PubChem CID 63787682) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 4-propylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-propylpiperazine-2,6-dione
PubChem CID63787682
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name4-propylpiperazine-2,6-dione
SMILESCCCN1CC(=O)NC(=O)C1
InChIInChI=1S/C7H12N2O2/c1-2-3-9-4-6(10)8-7(11)5-9/h2-5H2,1H3,(H,8,10,11)
InChIKeyZNMRJRNIACIPOR-UHFFFAOYSA-N
XLogP-0.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propylpiperazine-2,6-dione?
The IUPAC name of 4-propylpiperazine-2,6-dione (CID 63787682) is 4-propylpiperazine-2,6-dione.
What is the SMILES notation for 4-propylpiperazine-2,6-dione?
The canonical SMILES for 4-propylpiperazine-2,6-dione is CCCN1CC(=O)NC(=O)C1.
What is the InChIKey of 4-propylpiperazine-2,6-dione?
The InChIKey is ZNMRJRNIACIPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-3-9-4-6(10)8-7(11)5-9/h2-5H2,1H3,(H,8,10,11).
What are the key properties of 4-propylpiperazine-2,6-dione?
4-propylpiperazine-2,6-dione has a molecular weight of 156.19 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylpiperazine-2,6-dione is sourced from PubChem (CID 63787682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).