4,4-dimethylpiperidine-2,6-dione;1-methyl-1,3-diazinane-2,4,6-trione

C12H17N3O5 — CID 67583186

IUPAC4,4-dimethylpiperidine-2,6-dione;1-methyl-1,3-diazinane-2,4,6-trione
SMILESCC1(C)CC(=O)NC(=O)C1.CN1C(=O)CC(=O)NC1=O
InChIInChI=1S/C7H11NO2.C5H6N2O3/c1-7(2)3-5(9)8-6(10)4-7;1-7-4(9)2-3(8)6-5(7)10/h3-4H2,1-2H3,(H,8,9,10);2H2,1H3,(H,6,8,10)
InChIKeyBSJIJVYUGFMEBI-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.47
Rot. Bonds

About 4,4-dimethylpiperidine-2,6-dione;1-methyl-1,3-diazinane-2,4,6-trione

4,4-dimethylpiperidine-2,6-dione;1-methyl-1,3-diazinane-2,4,6-trione (PubChem CID 67583186) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 4,4-dimethylpiperidine-2,6-dione;1-methyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name4,4-dimethylpiperidine-2,6-dione;1-methyl-1,3-diazinane-2,4,6-trione
PubChem CID67583186
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name4,4-dimethylpiperidine-2,6-dione;1-methyl-1,3-diazinane-2,4,6-trione
SMILESCC1(C)CC(=O)NC(=O)C1.CN1C(=O)CC(=O)NC1=O
InChIInChI=1S/C7H11NO2.C5H6N2O3/c1-7(2)3-5(9)8-6(10)4-7;1-7-4(9)2-3(8)6-5(7)10/h3-4H2,1-2H3,(H,8,9,10);2H2,1H3,(H,6,8,10)
InChIKeyBSJIJVYUGFMEBI-UHFFFAOYSA-N
XLogP-0.47
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpiperidine-2,6-dione;1-methyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 4,4-dimethylpiperidine-2,6-dione;1-methyl-1,3-diazinane-2,4,6-trione (CID 67583186) is 4,4-dimethylpiperidine-2,6-dione;1-methyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 4,4-dimethylpiperidine-2,6-dione;1-methyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 4,4-dimethylpiperidine-2,6-dione;1-methyl-1,3-diazinane-2,4,6-trione is CC1(C)CC(=O)NC(=O)C1.CN1C(=O)CC(=O)NC1=O.
What is the InChIKey of 4,4-dimethylpiperidine-2,6-dione;1-methyl-1,3-diazinane-2,4,6-trione?
The InChIKey is BSJIJVYUGFMEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.C5H6N2O3/c1-7(2)3-5(9)8-6(10)4-7;1-7-4(9)2-3(8)6-5(7)10/h3-4H2,1-2H3,(H,8,9,10);2H2,1H3,(H,6,8,10).
What are the key properties of 4,4-dimethylpiperidine-2,6-dione;1-methyl-1,3-diazinane-2,4,6-trione?
4,4-dimethylpiperidine-2,6-dione;1-methyl-1,3-diazinane-2,4,6-trione has a molecular weight of 283.28 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpiperidine-2,6-dione;1-methyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 67583186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).