4-indol-1-yl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile

C16H12N4O2 — CID 22621496

IUPAC4-indol-1-yl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
SMILESCC1(n2ccc3ccccc32)C(C#N)C(=O)NC(=O)C1C#N
InChIInChI=1S/C16H12N4O2/c1-16(20-7-6-10-4-2-3-5-13(10)20)11(8-17)14(21)19-15(22)12(16)9-18/h2-7,11-12H,1H3,(H,19,21,22)
InChIKeyIABBXYKDTMYBDZ-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.29
Rot. Bonds1

About 4-indol-1-yl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile

4-indol-1-yl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile (PubChem CID 22621496) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-indol-1-yl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-indol-1-yl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
PubChem CID22621496
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name4-indol-1-yl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
SMILESCC1(n2ccc3ccccc32)C(C#N)C(=O)NC(=O)C1C#N
InChIInChI=1S/C16H12N4O2/c1-16(20-7-6-10-4-2-3-5-13(10)20)11(8-17)14(21)19-15(22)12(16)9-18/h2-7,11-12H,1H3,(H,19,21,22)
InChIKeyIABBXYKDTMYBDZ-UHFFFAOYSA-N
XLogP1.29
TPSA98.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The IUPAC name of 4-indol-1-yl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile (CID 22621496) is 4-indol-1-yl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile.
What is the SMILES notation for 4-indol-1-yl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The canonical SMILES for 4-indol-1-yl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile is CC1(n2ccc3ccccc32)C(C#N)C(=O)NC(=O)C1C#N.
What is the InChIKey of 4-indol-1-yl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The InChIKey is IABBXYKDTMYBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-16(20-7-6-10-4-2-3-5-13(10)20)11(8-17)14(21)19-15(22)12(16)9-18/h2-7,11-12H,1H3,(H,19,21,22).
What are the key properties of 4-indol-1-yl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
4-indol-1-yl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile has a molecular weight of 292.30 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-yl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile is sourced from PubChem (CID 22621496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).