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

C16H18N4O3 — CID 162504276

IUPAC3-(6-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
SMILESCC(C)(C)c1ccc2nnn(C3CCC(=O)NC3=O)c(=O)c2c1
InChIInChI=1S/C16H18N4O3/c1-16(2,3)9-4-5-11-10(8-9)15(23)20(19-18-11)12-6-7-13(21)17-14(12)22/h4-5,8,12H,6-7H2,1-3H3,(H,17,21,22)
InChIKeyDOWFOMPXBDIRLB-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.07
Rot. Bonds1

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

3-(6-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione (PubChem CID 162504276) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-(6-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
PubChem CID162504276
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name3-(6-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
SMILESCC(C)(C)c1ccc2nnn(C3CCC(=O)NC3=O)c(=O)c2c1
InChIInChI=1S/C16H18N4O3/c1-16(2,3)9-4-5-11-10(8-9)15(23)20(19-18-11)12-6-7-13(21)17-14(12)22/h4-5,8,12H,6-7H2,1-3H3,(H,17,21,22)
InChIKeyDOWFOMPXBDIRLB-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-(6-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-butylamino)-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione
CID 162504232
CID 174168195
CID 174168195
3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
CID 162504418
1-[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-6-yl]ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
CID 151519054
4-[4-[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-6-yl]azetidine-3-carbonyl]piperazin-1-yl]benzamide
CID 162767834
1-(3,4-dimethylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]methyl]urea
CID 151327500
4-[3-[1-[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-6-yl]azetidine-3-carbonyl]piperidin-4-yl]prop-1-ynyl]benzamide
CID 162767712
3-[5-[(4-methoxyphenyl)methylamino]-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione
CID 142748655
3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235686
tert-butyl 6-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]hexanoate
CID 154675468
ethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen
CID 171626775
3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione
CID 171801888

Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione (CID 162504276) is 3-(6-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione is CC(C)(C)c1ccc2nnn(C3CCC(=O)NC3=O)c(=O)c2c1.
What is the InChIKey of 3-(6-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione?
The InChIKey is DOWFOMPXBDIRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-16(2,3)9-4-5-11-10(8-9)15(23)20(19-18-11)12-6-7-13(21)17-14(12)22/h4-5,8,12H,6-7H2,1-3H3,(H,17,21,22).
What are the key properties of 3-(6-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione?
3-(6-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-(6-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 162504276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).