4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide;tungsten

C15H16F2N3O3W- — CID 166077672

About 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide;tungsten

4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide;tungsten (PubChem CID 166077672) has the molecular formula C15H16F2N3O3W- and a molecular weight of 508.15 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide;tungsten.

Molecular Properties

• Compound Name: 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide;tungsten
• PubChem CID: 166077672
• Molecular Formula: C15H16F2N3O3W-
• Molecular Weight: 508.15 g/mol
• Exact Mass: 508.07
• IUPAC Name: 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide;tungsten
• SMILES: CN(C)C1=CC(F)=C(C(=O)NC2CCC(=O)NC2=O)[C-]=C(F)C1.[W]
• InChI: InChI=1S/C15H16F2N3O3.W/c1-20(2)9-5-8(16)6-10(11(17)7-9)14(22)18-12-3-4-13(21)19-15(12)23;/h7,12H,3-5H2,1-2H3,(H,18,22)(H,19,21,23);/q-1
• InChIKey: IBLNRNDBBMEHIA-UHFFFAOYSA-N
• XLogP: 0.63
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.15
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide;tungsten?

The IUPAC name of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide;tungsten (CID 166077672) is 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide;tungsten.

What is the SMILES notation for 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide;tungsten?

The canonical SMILES for 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide;tungsten is CN(C)C1=CC(F)=C(C(=O)NC2CCC(=O)NC2=O)[C-]=C(F)C1.[W].

What is the InChIKey of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide;tungsten?

The InChIKey is IBLNRNDBBMEHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N3O3.W/c1-20(2)9-5-8(16)6-10(11(17)7-9)14(22)18-12-3-4-13(21)19-15(12)23;/h7,12H,3-5H2,1-2H3,(H,18,22)(H,19,21,23);/q-1;.

What are the key properties of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide;tungsten?

4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide;tungsten has a molecular weight of 508.15 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide;tungsten is sourced from PubChem (CID 166077672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).