3-[6-(tert-butylamino)-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione

C16H19N5O3 — CID 162504232

IUPAC3-[6-(tert-butylamino)-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione
SMILESCC(C)(C)Nc1ccc2nnn(C3CCC(=O)NC3=O)c(=O)c2c1
InChIInChI=1S/C16H19N5O3/c1-16(2,3)18-9-4-5-11-10(8-9)15(24)21(20-19-11)12-6-7-13(22)17-14(12)23/h4-5,8,12,18H,6-7H2,1-3H3,(H,17,22,23)
InChIKeyLDPHDPBNDIMLET-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.98
Rot. Bonds2

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

3-[6-(tert-butylamino)-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione (PubChem CID 162504232) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[6-(tert-butylamino)-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-(tert-butylamino)-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione
PubChem CID162504232
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name3-[6-(tert-butylamino)-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione
SMILESCC(C)(C)Nc1ccc2nnn(C3CCC(=O)NC3=O)c(=O)c2c1
InChIInChI=1S/C16H19N5O3/c1-16(2,3)18-9-4-5-11-10(8-9)15(24)21(20-19-11)12-6-7-13(22)17-14(12)23/h4-5,8,12,18H,6-7H2,1-3H3,(H,17,22,23)
InChIKeyLDPHDPBNDIMLET-UHFFFAOYSA-N
XLogP0.98
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[6-(tert-butylamino)-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
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
CID 174168195
CID 174168195
3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
CID 162504418
1-(3,4-dimethylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]methyl]urea
CID 151327500
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
3-[5-[(4-methoxyphenyl)methylamino]-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione
CID 142748655
3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione
CID 171801888
tert-butyl 6-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]hexanoate
CID 154675468
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
N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide
CID 123383875
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

Frequently Asked Questions

What is the IUPAC name of 3-[6-(tert-butylamino)-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-(tert-butylamino)-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione (CID 162504232) is 3-[6-(tert-butylamino)-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-(tert-butylamino)-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-(tert-butylamino)-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione is CC(C)(C)Nc1ccc2nnn(C3CCC(=O)NC3=O)c(=O)c2c1.
What is the InChIKey of 3-[6-(tert-butylamino)-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione?
The InChIKey is LDPHDPBNDIMLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-16(2,3)18-9-4-5-11-10(8-9)15(24)21(20-19-11)12-6-7-13(22)17-14(12)23/h4-5,8,12,18H,6-7H2,1-3H3,(H,17,22,23).
What are the key properties of 3-[6-(tert-butylamino)-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione?
3-[6-(tert-butylamino)-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione has a molecular weight of 329.36 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(tert-butylamino)-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 162504232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).