1-(4-acetylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione

C13H22N4O3 — CID 69151636

IUPAC1-(4-acetylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
SMILESCC(=O)N1CCN(C(=O)C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H22N4O3/c1-11(18)15-7-9-17(10-8-15)13(20)12(19)16-5-3-14(2)4-6-16/h3-10H2,1-2H3
InChIKeyWUPZDYQODMBJSW-UHFFFAOYSA-N
MW282.34 g/mol
LogP-1.55
Rot. Bonds

About 1-(4-acetylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione

1-(4-acetylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione (PubChem CID 69151636) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
PubChem CID69151636
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
SMILESCC(=O)N1CCN(C(=O)C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H22N4O3/c1-11(18)15-7-9-17(10-8-15)13(20)12(19)16-5-3-14(2)4-6-16/h3-10H2,1-2H3
InChIKeyWUPZDYQODMBJSW-UHFFFAOYSA-N
XLogP-1.55
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-1.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione (CID 69151636) is 1-(4-acetylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione is CC(=O)N1CCN(C(=O)C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
The InChIKey is WUPZDYQODMBJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-11(18)15-7-9-17(10-8-15)13(20)12(19)16-5-3-14(2)4-6-16/h3-10H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
1-(4-acetylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione has a molecular weight of 282.34 g/mol, XLogP of -1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 69151636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).