1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione

C13H23N3O3 — CID 108503946

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
SMILESCC1CN(C(=O)C(=O)N2CCN(C)CC2)CC(C)O1
InChIInChI=1S/C13H23N3O3/c1-10-8-16(9-11(2)19-10)13(18)12(17)15-6-4-14(3)5-7-15/h10-11H,4-9H2,1-3H3
InChIKeyZVQWPBZBXZYLFT-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.60
Rot. Bonds

About 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione

1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione (PubChem CID 108503946) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
PubChem CID108503946
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
SMILESCC1CN(C(=O)C(=O)N2CCN(C)CC2)CC(C)O1
InChIInChI=1S/C13H23N3O3/c1-10-8-16(9-11(2)19-10)13(18)12(17)15-6-4-14(3)5-7-15/h10-11H,4-9H2,1-3H3
InChIKeyZVQWPBZBXZYLFT-UHFFFAOYSA-N
XLogP-0.60
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione with MolForge

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

Launch Full Analysis

Related Compounds

1,2-Ethanedione, 1,2-di-4-morpholinyl-
CID 240445
1,2-Dimorpholinoethanone
CID 242924
1-(4-Fluoropiperidin-1-yl)-2-morpholin-4-ylethanone
CID 172434889
1-[4-(2-Methylpropyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 45803767
2-(2,6-Dimethylmorpholin-4-yl)acetamide
CID 22198250
N,N-Diethyl-2-morpholino-2-oxoacetamide
CID 45587187
2-(2,5-Dimethylmorpholin-4-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 45811018
2-(2-Ethylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074713
2-(4-Methoxypiperidin-1-yl)-1-piperidin-1-ylethanone
CID 53524569
2-(2,6-Dimethylmorpholin-4-yl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 56799483
4-(2-Oxo-2-piperidin-1-ylethyl)-2-(trifluoromethyl)morpholine
CID 56864653
1-(2,6-Dimethylmorpholin-4-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 72017177

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione (CID 108503946) is 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione is CC1CN(C(=O)C(=O)N2CCN(C)CC2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
The InChIKey is ZVQWPBZBXZYLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10-8-16(9-11(2)19-10)13(18)12(17)15-6-4-14(3)5-7-15/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione has a molecular weight of 269.34 g/mol, XLogP of -0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 108503946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).