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

C12H22N4O2 — CID 515617

IUPAC1,2-bis(4-methylpiperazin-1-yl)ethane-1,2-dione
SMILESCN1CCN(C(=O)C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C12H22N4O2/c1-13-3-7-15(8-4-13)11(17)12(18)16-9-5-14(2)6-10-16/h3-10H2,1-2H3
InChIKeyVNSSOUAJGZGYBT-UHFFFAOYSA-N
MW254.33 g/mol
LogP-1.47
Rot. Bonds

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

1,2-bis(4-methylpiperazin-1-yl)ethane-1,2-dione (PubChem CID 515617) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,2-bis(4-methylpiperazin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1,2-bis(4-methylpiperazin-1-yl)ethane-1,2-dione
PubChem CID515617
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1,2-bis(4-methylpiperazin-1-yl)ethane-1,2-dione
SMILESCN1CCN(C(=O)C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C12H22N4O2/c1-13-3-7-15(8-4-13)11(17)12(18)16-9-5-14(2)6-10-16/h3-10H2,1-2H3
InChIKeyVNSSOUAJGZGYBT-UHFFFAOYSA-N
XLogP-1.47
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-1.47
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 1,2-bis(4-methylpiperazin-1-yl)ethane-1,2-dione?
The IUPAC name of 1,2-bis(4-methylpiperazin-1-yl)ethane-1,2-dione (CID 515617) is 1,2-bis(4-methylpiperazin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1,2-bis(4-methylpiperazin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1,2-bis(4-methylpiperazin-1-yl)ethane-1,2-dione is CN1CCN(C(=O)C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 1,2-bis(4-methylpiperazin-1-yl)ethane-1,2-dione?
The InChIKey is VNSSOUAJGZGYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-13-3-7-15(8-4-13)11(17)12(18)16-9-5-14(2)6-10-16/h3-10H2,1-2H3.
What are the key properties of 1,2-bis(4-methylpiperazin-1-yl)ethane-1,2-dione?
1,2-bis(4-methylpiperazin-1-yl)ethane-1,2-dione has a molecular weight of 254.33 g/mol, XLogP of -1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methylpiperazin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 515617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).