4-[(2-azaspiro[4.5]decan-6-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C23H28N4O4 — CID 167736475

About 4-[(2-azaspiro[4.5]decan-6-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[(2-azaspiro[4.5]decan-6-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167736475) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[(2-azaspiro[4.5]decan-6-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[(2-azaspiro[4.5]decan-6-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 167736475
• Molecular Formula: C23H28N4O4
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.21
• IUPAC Name: 4-[(2-azaspiro[4.5]decan-6-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3cccc(CNC4CCCCC45CCNC5)c3C2=O)C(=O)N1
• InChI: InChI=1S/C23H28N4O4/c28-18-8-7-16(20(29)26-18)27-21(30)15-5-3-4-14(19(15)22(27)31)12-25-17-6-1-2-9-23(17)10-11-24-13-23/h3-5,16-17,24-25H,1-2,6-13H2,(H,26,28,29)
• InChIKey: PTHVYKKCQWHBCU-UHFFFAOYSA-N
• XLogP: 1.10
• TPSA: 107.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	3
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 4-[(2-azaspiro[4.5]decan-6-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[(2-azaspiro[4.5]decan-6-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167736475) is 4-[(2-azaspiro[4.5]decan-6-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[(2-azaspiro[4.5]decan-6-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[(2-azaspiro[4.5]decan-6-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(CNC4CCCCC45CCNC5)c3C2=O)C(=O)N1.

What is the InChIKey of 4-[(2-azaspiro[4.5]decan-6-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is PTHVYKKCQWHBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c28-18-8-7-16(20(29)26-18)27-21(30)15-5-3-4-14(19(15)22(27)31)12-25-17-6-1-2-9-23(17)10-11-24-13-23/h3-5,16-17,24-25H,1-2,6-13H2,(H,26,28,29).

What are the key properties of 4-[(2-azaspiro[4.5]decan-6-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[(2-azaspiro[4.5]decan-6-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 424.50 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2-azaspiro[4.5]decan-6-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167736475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).