3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione

C16H18N4O3 — CID 162504418

IUPAC3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
SMILESCC(C)(C)c1cccc2nnn(C3CCC(=O)NC3=O)c(=O)c12
InChIInChI=1S/C16H18N4O3/c1-16(2,3)9-5-4-6-10-13(9)15(23)20(19-18-10)11-7-8-12(21)17-14(11)22/h4-6,11H,7-8H2,1-3H3,(H,17,21,22)
InChIKeyJTYFAQWVLLFNNH-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.07
Rot. Bonds1

About 3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione

3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione (PubChem CID 162504418) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
PubChem CID162504418
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
SMILESCC(C)(C)c1cccc2nnn(C3CCC(=O)NC3=O)c(=O)c12
InChIInChI=1S/C16H18N4O3/c1-16(2,3)9-5-4-6-10-13(9)15(23)20(19-18-10)11-7-8-12(21)17-14(11)22/h4-6,11H,7-8H2,1-3H3,(H,17,21,22)
InChIKeyJTYFAQWVLLFNNH-UHFFFAOYSA-N
XLogP1.07
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-(6-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
CID 162504276
3-[5-[(4-methoxyphenyl)methylamino]-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione
CID 142748655
tert-butyl 6-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]hexanoate
CID 154675468
3-[6-(tert-butylamino)-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione
CID 162504232
3-[4-oxo-5-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methylamino]-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione
CID 156837309
3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione
CID 171801888
CID 174168195
CID 174168195
4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134488749
4-[2-[2-[2-[2-[2-[2-[4-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide
CID 162767844
4-[2-[2-[2-[2-[2-[4-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide
CID 162767698
4-tert-butyl-2-(2,7-dioxoazepan-3-yl)isoindole-1,3-dione
CID 138628553
(3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 129210548

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione (CID 162504418) is 3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione is CC(C)(C)c1cccc2nnn(C3CCC(=O)NC3=O)c(=O)c12.
What is the InChIKey of 3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione?
The InChIKey is JTYFAQWVLLFNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-16(2,3)9-5-4-6-10-13(9)15(23)20(19-18-10)11-7-8-12(21)17-14(11)22/h4-6,11H,7-8H2,1-3H3,(H,17,21,22).
What are the key properties of 3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione?
3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione has a molecular weight of 314.35 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 162504418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).