4-methyl-2-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]morpholine-3,5-dione

C11H15N3O5 — CID 123144589

IUPAC4-methyl-2-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]morpholine-3,5-dione
SMILESCN1CC(=O)N(CC2OCC(=O)N(C)C2=O)C(=O)C1
InChIInChI=1S/C11H15N3O5/c1-12-4-8(15)14(9(16)5-12)3-7-11(18)13(2)10(17)6-19-7/h7H,3-6H2,1-2H3
InChIKeyWRKUORHZZDCNMJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP-2.33
Rot. Bonds2

About 4-methyl-2-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]morpholine-3,5-dione

4-methyl-2-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]morpholine-3,5-dione (PubChem CID 123144589) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]morpholine-3,5-dione
PubChem CID123144589
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name4-methyl-2-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]morpholine-3,5-dione
SMILESCN1CC(=O)N(CC2OCC(=O)N(C)C2=O)C(=O)C1
InChIInChI=1S/C11H15N3O5/c1-12-4-8(15)14(9(16)5-12)3-7-11(18)13(2)10(17)6-19-7/h7H,3-6H2,1-2H3
InChIKeyWRKUORHZZDCNMJ-UHFFFAOYSA-N
XLogP-2.33
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-2.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methyl-2-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]morpholine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]morpholine-3,5-dione?
The IUPAC name of 4-methyl-2-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]morpholine-3,5-dione (CID 123144589) is 4-methyl-2-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]morpholine-3,5-dione.
What is the SMILES notation for 4-methyl-2-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]morpholine-3,5-dione?
The canonical SMILES for 4-methyl-2-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]morpholine-3,5-dione is CN1CC(=O)N(CC2OCC(=O)N(C)C2=O)C(=O)C1.
What is the InChIKey of 4-methyl-2-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]morpholine-3,5-dione?
The InChIKey is WRKUORHZZDCNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-12-4-8(15)14(9(16)5-12)3-7-11(18)13(2)10(17)6-19-7/h7H,3-6H2,1-2H3.
What are the key properties of 4-methyl-2-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]morpholine-3,5-dione?
4-methyl-2-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]morpholine-3,5-dione has a molecular weight of 269.26 g/mol, XLogP of -2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]morpholine-3,5-dione is sourced from PubChem (CID 123144589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).