4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile

C15H13N3O3 — CID 2747173

IUPAC4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
SMILESCOc1cccc(C2(C)C(C#N)C(=O)NC(=O)C2C#N)c1
InChIInChI=1S/C15H13N3O3/c1-15(9-4-3-5-10(6-9)21-2)11(7-16)13(19)18-14(20)12(15)8-17/h3-6,11-12H,1-2H3,(H,18,19,20)
InChIKeyNPCGYISYZNPYHX-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.89
Rot. Bonds2

About 4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile

4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile (PubChem CID 2747173) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
PubChem CID2747173
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
SMILESCOc1cccc(C2(C)C(C#N)C(=O)NC(=O)C2C#N)c1
InChIInChI=1S/C15H13N3O3/c1-15(9-4-3-5-10(6-9)21-2)11(7-16)13(19)18-14(20)12(15)8-17/h3-6,11-12H,1-2H3,(H,18,19,20)
InChIKeyNPCGYISYZNPYHX-UHFFFAOYSA-N
XLogP0.89
TPSA102.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.89
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-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The IUPAC name of 4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile (CID 2747173) is 4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile.
What is the SMILES notation for 4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The canonical SMILES for 4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile is COc1cccc(C2(C)C(C#N)C(=O)NC(=O)C2C#N)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The InChIKey is NPCGYISYZNPYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-15(9-4-3-5-10(6-9)21-2)11(7-16)13(19)18-14(20)12(15)8-17/h3-6,11-12H,1-2H3,(H,18,19,20).
What are the key properties of 4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile has a molecular weight of 283.29 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile is sourced from PubChem (CID 2747173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).