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

C13H22N4O3 — CID 66068271

IUPAC3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,6-dione
SMILESCN1CCN(C(=O)CN2C(=O)CNC(C)(C)C2=O)CC1
InChIInChI=1S/C13H22N4O3/c1-13(2)12(20)17(10(18)8-14-13)9-11(19)16-6-4-15(3)5-7-16/h14H,4-9H2,1-3H3
InChIKeyRATCXCXOCAJQJR-UHFFFAOYSA-N
MW282.34 g/mol
LogP-1.50
Rot. Bonds2

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

3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,6-dione (PubChem CID 66068271) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,6-dione
PubChem CID66068271
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,6-dione
SMILESCN1CCN(C(=O)CN2C(=O)CNC(C)(C)C2=O)CC1
InChIInChI=1S/C13H22N4O3/c1-13(2)12(20)17(10(18)8-14-13)9-11(19)16-6-4-15(3)5-7-16/h14H,4-9H2,1-3H3
InChIKeyRATCXCXOCAJQJR-UHFFFAOYSA-N
XLogP-1.50
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-1.50
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)-2-oxoethyl]piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,6-dione (CID 66068271) is 3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,6-dione is CN1CCN(C(=O)CN2C(=O)CNC(C)(C)C2=O)CC1.
What is the InChIKey of 3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,6-dione?
The InChIKey is RATCXCXOCAJQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-13(2)12(20)17(10(18)8-14-13)9-11(19)16-6-4-15(3)5-7-16/h14H,4-9H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,6-dione?
3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,6-dione has a molecular weight of 282.34 g/mol, XLogP of -1.50, 2 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)-2-oxoethyl]piperazine-2,6-dione is sourced from PubChem (CID 66068271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).