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

C14H10ClN3O2 — CID 91647642

IUPAC4-(3-chlorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
SMILESCC1(c2cccc(Cl)c2)C(C#N)C(=O)NC(=O)C1C#N
InChIInChI=1S/C14H10ClN3O2/c1-14(8-3-2-4-9(15)5-8)10(6-16)12(19)18-13(20)11(14)7-17/h2-5,10-11H,1H3,(H,18,19,20)
InChIKeyTUOVZDIOMLOVGI-UHFFFAOYSA-N
MW287.71 g/mol
LogP1.53
Rot. Bonds1

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

4-(3-chlorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile (PubChem CID 91647642) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-(3-chlorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
PubChem CID91647642
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name4-(3-chlorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
SMILESCC1(c2cccc(Cl)c2)C(C#N)C(=O)NC(=O)C1C#N
InChIInChI=1S/C14H10ClN3O2/c1-14(8-3-2-4-9(15)5-8)10(6-16)12(19)18-13(20)11(14)7-17/h2-5,10-11H,1H3,(H,18,19,20)
InChIKeyTUOVZDIOMLOVGI-UHFFFAOYSA-N
XLogP1.53
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-chlorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The IUPAC name of 4-(3-chlorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile (CID 91647642) is 4-(3-chlorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile.
What is the SMILES notation for 4-(3-chlorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The canonical SMILES for 4-(3-chlorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile is CC1(c2cccc(Cl)c2)C(C#N)C(=O)NC(=O)C1C#N.
What is the InChIKey of 4-(3-chlorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The InChIKey is TUOVZDIOMLOVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-14(8-3-2-4-9(15)5-8)10(6-16)12(19)18-13(20)11(14)7-17/h2-5,10-11H,1H3,(H,18,19,20).
What are the key properties of 4-(3-chlorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
4-(3-chlorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile has a molecular weight of 287.71 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile is sourced from PubChem (CID 91647642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).