2-tert-butyl-5-(2,6-dioxopiperidin-3-yl)benzonitrile

C16H18N2O2 — CID 174179956

IUPAC2-tert-butyl-5-(2,6-dioxopiperidin-3-yl)benzonitrile
SMILESCC(C)(C)c1ccc(C2CCC(=O)NC2=O)cc1C#N
InChIInChI=1S/C16H18N2O2/c1-16(2,3)13-6-4-10(8-11(13)9-17)12-5-7-14(19)18-15(12)20/h4,6,8,12H,5,7H2,1-3H3,(H,18,19,20)
InChIKeyGWVMTTSDEAHHFC-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.38
Rot. Bonds1

About 2-tert-butyl-5-(2,6-dioxopiperidin-3-yl)benzonitrile

2-tert-butyl-5-(2,6-dioxopiperidin-3-yl)benzonitrile (PubChem CID 174179956) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,6-dioxopiperidin-3-yl)benzonitrile.

Molecular Properties

Compound Name2-tert-butyl-5-(2,6-dioxopiperidin-3-yl)benzonitrile
PubChem CID174179956
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-tert-butyl-5-(2,6-dioxopiperidin-3-yl)benzonitrile
SMILESCC(C)(C)c1ccc(C2CCC(=O)NC2=O)cc1C#N
InChIInChI=1S/C16H18N2O2/c1-16(2,3)13-6-4-10(8-11(13)9-17)12-5-7-14(19)18-15(12)20/h4,6,8,12H,5,7H2,1-3H3,(H,18,19,20)
InChIKeyGWVMTTSDEAHHFC-UHFFFAOYSA-N
XLogP2.38
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-(2,6-dioxopiperidin-3-yl)benzonitrile
CID 171540913
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
actinium;ethane;3-phenylpiperidine-2,6-dione
CID 176713494
3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 168735277
CID 177052361
CID 177052361
3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione
CID 170052283
3-(5-methyl-3-pyridinyl)piperidine-2,6-dione
CID 167474889
2-(2,6-dioxopiperidin-3-yl)sulfanylbenzonitrile
CID 142623514
3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione
CID 170952357
3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione
CID 166947876
3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione
CID 167463182

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2,6-dioxopiperidin-3-yl)benzonitrile?
The IUPAC name of 2-tert-butyl-5-(2,6-dioxopiperidin-3-yl)benzonitrile (CID 174179956) is 2-tert-butyl-5-(2,6-dioxopiperidin-3-yl)benzonitrile.
What is the SMILES notation for 2-tert-butyl-5-(2,6-dioxopiperidin-3-yl)benzonitrile?
The canonical SMILES for 2-tert-butyl-5-(2,6-dioxopiperidin-3-yl)benzonitrile is CC(C)(C)c1ccc(C2CCC(=O)NC2=O)cc1C#N.
What is the InChIKey of 2-tert-butyl-5-(2,6-dioxopiperidin-3-yl)benzonitrile?
The InChIKey is GWVMTTSDEAHHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2,3)13-6-4-10(8-11(13)9-17)12-5-7-14(19)18-15(12)20/h4,6,8,12H,5,7H2,1-3H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-5-(2,6-dioxopiperidin-3-yl)benzonitrile?
2-tert-butyl-5-(2,6-dioxopiperidin-3-yl)benzonitrile has a molecular weight of 270.33 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2,6-dioxopiperidin-3-yl)benzonitrile is sourced from PubChem (CID 174179956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).