4-(4-tert-butylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(4-tert-butylpiperidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

C45H56N6O7 — CID 163944023

About 4-(4-tert-butylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(4-tert-butylpiperidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

4-(4-tert-butylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(4-tert-butylpiperidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 163944023) has the molecular formula C45H56N6O7 and a molecular weight of 792.98 g/mol. Its IUPAC name is 4-(4-tert-butylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(4-tert-butylpiperidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-(4-tert-butylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(4-tert-butylpiperidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 163944023
• Molecular Formula: C45H56N6O7
• Molecular Weight: 792.98 g/mol
• Exact Mass: 792.42
• IUPAC Name: 4-(4-tert-butylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(4-tert-butylpiperidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: C=C1CCC(N2C(=O)c3ccc(N4CCC(C(C)(C)C)CC4)cc3C2=O)C(=O)N1.CC(C)(C)C1CCN(c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
• InChI: InChI=1S/C23H29N3O3.C22H27N3O4/c1-14-5-8-19(20(27)24-14)26-21(28)17-7-6-16(13-18(17)22(26)29)25-11-9-15(10-12-25)23(2,3)4;1-22(2,3)13-9-11-24(12-10-13)15-6-4-5-14-18(15)21(29)25(20(14)28)16-7-8-17(26)23-19(16)27/h6-7,13,15,19H,1,5,8-12H2,2-4H3,(H,24,27);4-6,13,16H,7-12H2,1-3H3,(H,23,26,27)
• InChIKey: RTNBBFJEWAVDQF-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 156.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.98
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(4-tert-butylpiperidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(4-tert-butylpiperidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (CID 163944023) is 4-(4-tert-butylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(4-tert-butylpiperidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-(4-tert-butylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(4-tert-butylpiperidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-(4-tert-butylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(4-tert-butylpiperidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is C=C1CCC(N2C(=O)c3ccc(N4CCC(C(C)(C)C)CC4)cc3C2=O)C(=O)N1.CC(C)(C)C1CCN(c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.

What is the InChIKey of 4-(4-tert-butylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(4-tert-butylpiperidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is RTNBBFJEWAVDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3.C22H27N3O4/c1-14-5-8-19(20(27)24-14)26-21(28)17-7-6-16(13-18(17)22(26)29)25-11-9-15(10-12-25)23(2,3)4;1-22(2,3)13-9-11-24(12-10-13)15-6-4-5-14-18(15)21(29)25(20(14)28)16-7-8-17(26)23-19(16)27/h6-7,13,15,19H,1,5,8-12H2,2-4H3,(H,24,27);4-6,13,16H,7-12H2,1-3H3,(H,23,26,27).

What are the key properties of 4-(4-tert-butylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(4-tert-butylpiperidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

4-(4-tert-butylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(4-tert-butylpiperidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 792.98 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-tert-butylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(4-tert-butylpiperidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 163944023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).