3-(11-amino-9,13-difluoro-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione

C17H19F2N3O3 — CID 175631543

About 3-(11-amino-9,13-difluoro-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione

3-(11-amino-9,13-difluoro-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione (PubChem CID 175631543) has the molecular formula C17H19F2N3O3 and a molecular weight of 351.35 g/mol. Its IUPAC name is 3-(11-amino-9,13-difluoro-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-(11-amino-9,13-difluoro-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione
• PubChem CID: 175631543
• Molecular Formula: C17H19F2N3O3
• Molecular Weight: 351.35 g/mol
• Exact Mass: 351.14
• IUPAC Name: 3-(11-amino-9,13-difluoro-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione
• SMILES: NC1=CC(F)=C2C(=O)N(C3CCC(=O)NC3=O)CCCCC2=C(F)C1
• InChI: InChI=1S/C17H19F2N3O3/c18-11-7-9(20)8-12(19)15-10(11)3-1-2-6-22(17(15)25)13-4-5-14(23)21-16(13)24/h8,13H,1-7,20H2,(H,21,23,24)
• InChIKey: HZKQFZHPZGXDPI-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 92.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.35
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(11-amino-9,13-difluoro-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione?

The IUPAC name of 3-(11-amino-9,13-difluoro-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione (CID 175631543) is 3-(11-amino-9,13-difluoro-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione.

What is the SMILES notation for 3-(11-amino-9,13-difluoro-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione?

The canonical SMILES for 3-(11-amino-9,13-difluoro-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione is NC1=CC(F)=C2C(=O)N(C3CCC(=O)NC3=O)CCCCC2=C(F)C1.

What is the InChIKey of 3-(11-amino-9,13-difluoro-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione?

The InChIKey is HZKQFZHPZGXDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3/c18-11-7-9(20)8-12(19)15-10(11)3-1-2-6-22(17(15)25)13-4-5-14(23)21-16(13)24/h8,13H,1-7,20H2,(H,21,23,24).

What are the key properties of 3-(11-amino-9,13-difluoro-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione?

3-(11-amino-9,13-difluoro-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione has a molecular weight of 351.35 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(11-amino-9,13-difluoro-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 175631543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).