4-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride

C20H23ClN4O4 — CID 171705575

About 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride

4-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride (PubChem CID 171705575) has the molecular formula C20H23ClN4O4 and a molecular weight of 418.88 g/mol. Its IUPAC name is 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride.

Molecular Properties

• Compound Name: 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
• PubChem CID: 171705575
• Molecular Formula: C20H23ClN4O4
• Molecular Weight: 418.88 g/mol
• Exact Mass: 418.14
• IUPAC Name: 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
• SMILES: Cl.O=C1CCC(N2C(=O)c3cccc(NC4CC5CCC(C4)N5)c3C2=O)C(=O)N1
• InChI: InChI=1S/C20H22N4O4.ClH/c25-16-7-6-15(18(26)23-16)24-19(27)13-2-1-3-14(17(13)20(24)28)22-12-8-10-4-5-11(9-12)21-10;/h1-3,10-12,15,21-22H,4-9H2,(H,23,25,26);1H
• InChIKey: BGOQXQIAJWYKAL-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 107.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.88
LogP ≤ 5	1.20
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-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride?

The IUPAC name of 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride (CID 171705575) is 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride.

What is the SMILES notation for 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride?

The canonical SMILES for 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride is Cl.O=C1CCC(N2C(=O)c3cccc(NC4CC5CCC(C4)N5)c3C2=O)C(=O)N1.

What is the InChIKey of 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride?

The InChIKey is BGOQXQIAJWYKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4.ClH/c25-16-7-6-15(18(26)23-16)24-19(27)13-2-1-3-14(17(13)20(24)28)22-12-8-10-4-5-11(9-12)21-10;/h1-3,10-12,15,21-22H,4-9H2,(H,23,25,26);1H.

What are the key properties of 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride?

4-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride has a molecular weight of 418.88 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 171705575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).