3-[[3-(2-cyclopropylethyl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]bicyclo[1.1.1]pentane-1-carboxamide

C24H28N4O4 — CID 176891541

About 3-[[3-(2-cyclopropylethyl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]bicyclo[1.1.1]pentane-1-carboxamide

3-[[3-(2-cyclopropylethyl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 176891541) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-[[3-(2-cyclopropylethyl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[[3-(2-cyclopropylethyl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]bicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 176891541
• Molecular Formula: C24H28N4O4
• Molecular Weight: 436.51 g/mol
• Exact Mass: 436.21
• IUPAC Name: 3-[[3-(2-cyclopropylethyl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]bicyclo[1.1.1]pentane-1-carboxamide
• SMILES: NC(=O)C12CC(Nc3cccc4c3C(CCC3CC3)N(C3CCC(=O)NC3=O)C4=O)(C1)C2
• InChI: InChI=1S/C24H28N4O4/c25-22(32)23-10-24(11-23,12-23)27-15-3-1-2-14-19(15)16(7-6-13-4-5-13)28(21(14)31)17-8-9-18(29)26-20(17)30/h1-3,13,16-17,27H,4-12H2,(H2,25,32)(H,26,29,30)
• InChIKey: PXFOBICDEPLVFE-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 121.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.51
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-cyclopropylethyl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]bicyclo[1.1.1]pentane-1-carboxamide?

The IUPAC name of 3-[[3-(2-cyclopropylethyl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]bicyclo[1.1.1]pentane-1-carboxamide (CID 176891541) is 3-[[3-(2-cyclopropylethyl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]bicyclo[1.1.1]pentane-1-carboxamide.

What is the SMILES notation for 3-[[3-(2-cyclopropylethyl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]bicyclo[1.1.1]pentane-1-carboxamide?

The canonical SMILES for 3-[[3-(2-cyclopropylethyl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]bicyclo[1.1.1]pentane-1-carboxamide is NC(=O)C12CC(Nc3cccc4c3C(CCC3CC3)N(C3CCC(=O)NC3=O)C4=O)(C1)C2.

What is the InChIKey of 3-[[3-(2-cyclopropylethyl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]bicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is PXFOBICDEPLVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c25-22(32)23-10-24(11-23,12-23)27-15-3-1-2-14-19(15)16(7-6-13-4-5-13)28(21(14)31)17-8-9-18(29)26-20(17)30/h1-3,13,16-17,27H,4-12H2,(H2,25,32)(H,26,29,30).

What are the key properties of 3-[[3-(2-cyclopropylethyl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]bicyclo[1.1.1]pentane-1-carboxamide?

3-[[3-(2-cyclopropylethyl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-(2-cyclopropylethyl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 176891541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).