1-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-diazinane-2,4,6-trione

C10H11N3O5 — CID 112598094

IUPAC1-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)CCC(N2C(=O)CC(=O)NC2=O)C1=O
InChIInChI=1S/C10H11N3O5/c1-12-7(15)3-2-5(9(12)17)13-8(16)4-6(14)11-10(13)18/h5H,2-4H2,1H3,(H,11,14,18)
InChIKeyCNQMMLXCHWMTLQ-UHFFFAOYSA-N
MW253.21 g/mol
LogP-1.40
Rot. Bonds1

About 1-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-diazinane-2,4,6-trione

1-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-diazinane-2,4,6-trione (PubChem CID 112598094) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is 1-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-diazinane-2,4,6-trione
PubChem CID112598094
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name1-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)CCC(N2C(=O)CC(=O)NC2=O)C1=O
InChIInChI=1S/C10H11N3O5/c1-12-7(15)3-2-5(9(12)17)13-8(16)4-6(14)11-10(13)18/h5H,2-4H2,1H3,(H,11,14,18)
InChIKeyCNQMMLXCHWMTLQ-UHFFFAOYSA-N
XLogP-1.40
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
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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Related Compounds

6-(1-methyl-2,6-dioxopiperidin-3-yl)-8H-pyrido[3,4-b]pyrazine-5,7-dione
CID 118441402
1-methyl-3-pyrrolidin-1-ylpiperidine-2,6-dione
CID 170067899
1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone
CID 4714731
2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione
CID 139469799
1-(2,4-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione
CID 112598012
2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-sulfanylisoindole-1,3-dione
CID 174332878
4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 142650795
1-(3,3-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione
CID 112598129
(3R)-3-amino-1-methylpiperidine-2,6-dione;hydrobromide
CID 146401292
2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione
CID 170640142
1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinane-2,4,6-trione
CID 112597991
2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione
CID 162432126

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-diazinane-2,4,6-trione (CID 112598094) is 1-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-diazinane-2,4,6-trione is CN1C(=O)CCC(N2C(=O)CC(=O)NC2=O)C1=O.
What is the InChIKey of 1-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-diazinane-2,4,6-trione?
The InChIKey is CNQMMLXCHWMTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5/c1-12-7(15)3-2-5(9(12)17)13-8(16)4-6(14)11-10(13)18/h5H,2-4H2,1H3,(H,11,14,18).
What are the key properties of 1-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-diazinane-2,4,6-trione?
1-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-diazinane-2,4,6-trione has a molecular weight of 253.21 g/mol, XLogP of -1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112598094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).