4-[(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C27H28N4O4 — CID 167723681

About 4-[(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167723681) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 4-[(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 167723681
• Molecular Formula: C27H28N4O4
• Molecular Weight: 472.55 g/mol
• Exact Mass: 472.21
• IUPAC Name: 4-[(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: NC1c2ccccc2CC12CCN(Cc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)CC2
• InChI: InChI=1S/C27H28N4O4/c28-23-18-6-2-1-4-16(18)14-27(23)10-12-30(13-11-27)15-17-5-3-7-19-22(17)26(35)31(25(19)34)20-8-9-21(32)29-24(20)33/h1-7,20,23H,8-15,28H2,(H,29,32,33)
• InChIKey: MWGVFJHUFNUTSW-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 112.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.55
LogP ≤ 5	1.93
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-[(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167723681) is 4-[(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NC1c2ccccc2CC12CCN(Cc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)CC2.

What is the InChIKey of 4-[(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is MWGVFJHUFNUTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c28-23-18-6-2-1-4-16(18)14-27(23)10-12-30(13-11-27)15-17-5-3-7-19-22(17)26(35)31(25(19)34)20-8-9-21(32)29-24(20)33/h1-7,20,23H,8-15,28H2,(H,29,32,33).

What are the key properties of 4-[(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 472.55 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167723681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).