4-[[4-(2-azaspiro[3.5]nonan-2-ylmethyl)-3-methylphenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C30H34N4O4 — CID 146195379

About 4-[[4-(2-azaspiro[3.5]nonan-2-ylmethyl)-3-methylphenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[[4-(2-azaspiro[3.5]nonan-2-ylmethyl)-3-methylphenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 146195379) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 4-[[4-(2-azaspiro[3.5]nonan-2-ylmethyl)-3-methylphenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[[4-(2-azaspiro[3.5]nonan-2-ylmethyl)-3-methylphenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 146195379
• Molecular Formula: C30H34N4O4
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.26
• IUPAC Name: 4-[[4-(2-azaspiro[3.5]nonan-2-ylmethyl)-3-methylphenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: Cc1cc(CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)ccc1CN1CC2(CCCCC2)C1
• InChI: InChI=1S/C30H34N4O4/c1-19-14-20(8-9-21(19)16-33-17-30(18-33)12-3-2-4-13-30)15-31-23-7-5-6-22-26(23)29(38)34(28(22)37)24-10-11-25(35)32-27(24)36/h5-9,14,24,31H,2-4,10-13,15-18H2,1H3,(H,32,35,36)
• InChIKey: RWYLSCLYGDVQBF-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
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-[[4-(2-azaspiro[3.5]nonan-2-ylmethyl)-3-methylphenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[[4-(2-azaspiro[3.5]nonan-2-ylmethyl)-3-methylphenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 146195379) is 4-[[4-(2-azaspiro[3.5]nonan-2-ylmethyl)-3-methylphenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[[4-(2-azaspiro[3.5]nonan-2-ylmethyl)-3-methylphenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[[4-(2-azaspiro[3.5]nonan-2-ylmethyl)-3-methylphenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is Cc1cc(CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)ccc1CN1CC2(CCCCC2)C1.

What is the InChIKey of 4-[[4-(2-azaspiro[3.5]nonan-2-ylmethyl)-3-methylphenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is RWYLSCLYGDVQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-19-14-20(8-9-21(19)16-33-17-30(18-33)12-3-2-4-13-30)15-31-23-7-5-6-22-26(23)29(38)34(28(22)37)24-10-11-25(35)32-27(24)36/h5-9,14,24,31H,2-4,10-13,15-18H2,1H3,(H,32,35,36).

What are the key properties of 4-[[4-(2-azaspiro[3.5]nonan-2-ylmethyl)-3-methylphenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[[4-(2-azaspiro[3.5]nonan-2-ylmethyl)-3-methylphenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 514.63 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(2-azaspiro[3.5]nonan-2-ylmethyl)-3-methylphenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 146195379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).