4-[[4-[(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C31H36N4O5 — CID 146195503

About 4-[[4-[(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[[4-[(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 146195503) has the molecular formula C31H36N4O5 and a molecular weight of 544.65 g/mol. Its IUPAC name is 4-[[4-[(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[[4-[(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 146195503
• Molecular Formula: C31H36N4O5
• Molecular Weight: 544.65 g/mol
• Exact Mass: 544.27
• IUPAC Name: 4-[[4-[(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: CC1(C)CCC2(CCN(Cc3ccc(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)CC2)O1
• InChI: InChI=1S/C31H36N4O5/c1-30(2)12-13-31(40-30)14-16-34(17-15-31)19-21-8-6-20(7-9-21)18-32-23-5-3-4-22-26(23)29(39)35(28(22)38)24-10-11-25(36)33-27(24)37/h3-9,24,32H,10-19H2,1-2H3,(H,33,36,37)
• InChIKey: GZRFOCDXOCMBLN-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.65
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[[4-[(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 146195503) is 4-[[4-[(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[[4-[(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[[4-[(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC1(C)CCC2(CCN(Cc3ccc(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)CC2)O1.

What is the InChIKey of 4-[[4-[(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is GZRFOCDXOCMBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O5/c1-30(2)12-13-31(40-30)14-16-34(17-15-31)19-21-8-6-20(7-9-21)18-32-23-5-3-4-22-26(23)29(39)35(28(22)38)24-10-11-25(36)33-27(24)37/h3-9,24,32H,10-19H2,1-2H3,(H,33,36,37).

What are the key properties of 4-[[4-[(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[[4-[(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 544.65 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 146195503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).