3-[7-[2-cyclopropylethyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C26H32FN3O5 — CID 176781377

About 3-[7-[2-cyclopropylethyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[2-cyclopropylethyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 176781377) has the molecular formula C26H32FN3O5 and a molecular weight of 485.56 g/mol. Its IUPAC name is 3-[7-[2-cyclopropylethyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[7-[2-cyclopropylethyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 176781377
• Molecular Formula: C26H32FN3O5
• Molecular Weight: 485.56 g/mol
• Exact Mass: 485.23
• IUPAC Name: 3-[7-[2-cyclopropylethyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3c(ccc(F)c3N(CCC3CC3)C3CCC4(CC3)OCCO4)C2=O)C(=O)N1
• InChI: InChI=1S/C26H32FN3O5/c27-20-4-3-18-19(15-30(25(18)33)21-5-6-22(31)28-24(21)32)23(20)29(12-9-16-1-2-16)17-7-10-26(11-8-17)34-13-14-35-26/h3-4,16-17,21H,1-2,5-15H2,(H,28,31,32)
• InChIKey: UXVOADXATQZIJD-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.56
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[7-[2-cyclopropylethyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[7-[2-cyclopropylethyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 176781377) is 3-[7-[2-cyclopropylethyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[7-[2-cyclopropylethyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[7-[2-cyclopropylethyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(ccc(F)c3N(CCC3CC3)C3CCC4(CC3)OCCO4)C2=O)C(=O)N1.

What is the InChIKey of 3-[7-[2-cyclopropylethyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is UXVOADXATQZIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O5/c27-20-4-3-18-19(15-30(25(18)33)21-5-6-22(31)28-24(21)32)23(20)29(12-9-16-1-2-16)17-7-10-26(11-8-17)34-13-14-35-26/h3-4,16-17,21H,1-2,5-15H2,(H,28,31,32).

What are the key properties of 3-[7-[2-cyclopropylethyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[7-[2-cyclopropylethyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 485.56 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[2-cyclopropylethyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 176781377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).