4-methyl-4-naphthalen-2-yl-2,6-dioxopiperidine-3,5-dicarbonitrile

C18H13N3O2 — CID 22621523

IUPAC4-methyl-4-naphthalen-2-yl-2,6-dioxopiperidine-3,5-dicarbonitrile
SMILESCC1(c2ccc3ccccc3c2)C(C#N)C(=O)NC(=O)C1C#N
InChIInChI=1S/C18H13N3O2/c1-18(13-7-6-11-4-2-3-5-12(11)8-13)14(9-19)16(22)21-17(23)15(18)10-20/h2-8,14-15H,1H3,(H,21,22,23)
InChIKeyFKLFPDLIHXYRDU-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.03
Rot. Bonds1

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

4-methyl-4-naphthalen-2-yl-2,6-dioxopiperidine-3,5-dicarbonitrile (PubChem CID 22621523) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-methyl-4-naphthalen-2-yl-2,6-dioxopiperidine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-methyl-4-naphthalen-2-yl-2,6-dioxopiperidine-3,5-dicarbonitrile
PubChem CID22621523
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name4-methyl-4-naphthalen-2-yl-2,6-dioxopiperidine-3,5-dicarbonitrile
SMILESCC1(c2ccc3ccccc3c2)C(C#N)C(=O)NC(=O)C1C#N
InChIInChI=1S/C18H13N3O2/c1-18(13-7-6-11-4-2-3-5-12(11)8-13)14(9-19)16(22)21-17(23)15(18)10-20/h2-8,14-15H,1H3,(H,21,22,23)
InChIKeyFKLFPDLIHXYRDU-UHFFFAOYSA-N
XLogP2.03
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-4-naphthalen-2-yl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The IUPAC name of 4-methyl-4-naphthalen-2-yl-2,6-dioxopiperidine-3,5-dicarbonitrile (CID 22621523) is 4-methyl-4-naphthalen-2-yl-2,6-dioxopiperidine-3,5-dicarbonitrile.
What is the SMILES notation for 4-methyl-4-naphthalen-2-yl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The canonical SMILES for 4-methyl-4-naphthalen-2-yl-2,6-dioxopiperidine-3,5-dicarbonitrile is CC1(c2ccc3ccccc3c2)C(C#N)C(=O)NC(=O)C1C#N.
What is the InChIKey of 4-methyl-4-naphthalen-2-yl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The InChIKey is FKLFPDLIHXYRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-18(13-7-6-11-4-2-3-5-12(11)8-13)14(9-19)16(22)21-17(23)15(18)10-20/h2-8,14-15H,1H3,(H,21,22,23).
What are the key properties of 4-methyl-4-naphthalen-2-yl-2,6-dioxopiperidine-3,5-dicarbonitrile?
4-methyl-4-naphthalen-2-yl-2,6-dioxopiperidine-3,5-dicarbonitrile has a molecular weight of 303.32 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-naphthalen-2-yl-2,6-dioxopiperidine-3,5-dicarbonitrile is sourced from PubChem (CID 22621523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).