3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2,6-dione

C13H24N4O2 — CID 82892131

IUPAC3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2,6-dione
SMILESCN1CCN(CCN2C(=O)CNC(C)(C)C2=O)CC1
InChIInChI=1S/C13H24N4O2/c1-13(2)12(19)17(11(18)10-14-13)9-8-16-6-4-15(3)5-7-16/h14H,4-10H2,1-3H3
InChIKeyKGVUSDNGSRLIAS-UHFFFAOYSA-N
MW268.36 g/mol
LogP-1.03
Rot. Bonds3

About 3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2,6-dione

3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2,6-dione (PubChem CID 82892131) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2,6-dione
PubChem CID82892131
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2,6-dione
SMILESCN1CCN(CCN2C(=O)CNC(C)(C)C2=O)CC1
InChIInChI=1S/C13H24N4O2/c1-13(2)12(19)17(11(18)10-14-13)9-8-16-6-4-15(3)5-7-16/h14H,4-10H2,1-3H3
InChIKeyKGVUSDNGSRLIAS-UHFFFAOYSA-N
XLogP-1.03
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2,6-dione (CID 82892131) is 3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2,6-dione is CN1CCN(CCN2C(=O)CNC(C)(C)C2=O)CC1.
What is the InChIKey of 3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2,6-dione?
The InChIKey is KGVUSDNGSRLIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-13(2)12(19)17(11(18)10-14-13)9-8-16-6-4-15(3)5-7-16/h14H,4-10H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2,6-dione?
3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2,6-dione has a molecular weight of 268.36 g/mol, XLogP of -1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2,6-dione is sourced from PubChem (CID 82892131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).