1-methyl-3-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione

C14H14N4O3 — CID 170361632

IUPAC1-methyl-3-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
SMILESCc1ccc2c(=O)n(C3CCC(=O)N(C)C3=O)nnc2c1
InChIInChI=1S/C14H14N4O3/c1-8-3-4-9-10(7-8)15-16-18(13(9)20)11-5-6-12(19)17(2)14(11)21/h3-4,7,11H,5-6H2,1-2H3
InChIKeyBUBPMBCGTNEINA-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.42
Rot. Bonds1

About 1-methyl-3-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione

1-methyl-3-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione (PubChem CID 170361632) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-methyl-3-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-methyl-3-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
PubChem CID170361632
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name1-methyl-3-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
SMILESCc1ccc2c(=O)n(C3CCC(=O)N(C)C3=O)nnc2c1
InChIInChI=1S/C14H14N4O3/c1-8-3-4-9-10(7-8)15-16-18(13(9)20)11-5-6-12(19)17(2)14(11)21/h3-4,7,11H,5-6H2,1-2H3
InChIKeyBUBPMBCGTNEINA-UHFFFAOYSA-N
XLogP0.42
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione?
The IUPAC name of 1-methyl-3-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione (CID 170361632) is 1-methyl-3-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 1-methyl-3-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 1-methyl-3-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione is Cc1ccc2c(=O)n(C3CCC(=O)N(C)C3=O)nnc2c1.
What is the InChIKey of 1-methyl-3-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione?
The InChIKey is BUBPMBCGTNEINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-8-3-4-9-10(7-8)15-16-18(13(9)20)11-5-6-12(19)17(2)14(11)21/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 1-methyl-3-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione?
1-methyl-3-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione has a molecular weight of 286.29 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 170361632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).