3-[6-oxo-1'-[[(1R,2R)-2-phenylcyclopropyl]methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione

C29H31N3O4 — CID 176808522

About 3-[6-oxo-1'-[[(1R,2R)-2-phenylcyclopropyl]methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione

3-[6-oxo-1'-[[(1R,2R)-2-phenylcyclopropyl]methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione (PubChem CID 176808522) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is 3-[6-oxo-1'-[[(1R,2R)-2-phenylcyclopropyl]methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-oxo-1'-[[(1R,2R)-2-phenylcyclopropyl]methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
• PubChem CID: 176808522
• Molecular Formula: C29H31N3O4
• Molecular Weight: 485.58 g/mol
• Exact Mass: 485.23
• IUPAC Name: 3-[6-oxo-1'-[[(1R,2R)-2-phenylcyclopropyl]methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(C[C@@H]4C[C@H]4c4ccccc4)CC3)C2=O)C(=O)N1
• InChI: InChI=1S/C29H31N3O4/c33-25-9-8-24(27(34)30-25)32-16-22-20(28(32)35)6-7-23-26(22)36-17-29(23)10-12-31(13-11-29)15-19-14-21(19)18-4-2-1-3-5-18/h1-7,19,21,24H,8-17H2,(H,30,33,34)/t19-,21-,24?/m0/s1
• InChIKey: QEAOYJNOHYNPGH-GGGSXUAESA-N
• XLogP: 2.98
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.58
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
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-[6-oxo-1'-[[(1R,2R)-2-phenylcyclopropyl]methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-oxo-1'-[[(1R,2R)-2-phenylcyclopropyl]methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione (CID 176808522) is 3-[6-oxo-1'-[[(1R,2R)-2-phenylcyclopropyl]methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-oxo-1'-[[(1R,2R)-2-phenylcyclopropyl]methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-oxo-1'-[[(1R,2R)-2-phenylcyclopropyl]methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(C[C@@H]4C[C@H]4c4ccccc4)CC3)C2=O)C(=O)N1.

What is the InChIKey of 3-[6-oxo-1'-[[(1R,2R)-2-phenylcyclopropyl]methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

The InChIKey is QEAOYJNOHYNPGH-GGGSXUAESA-N. The full InChI is InChI=1S/C29H31N3O4/c33-25-9-8-24(27(34)30-25)32-16-22-20(28(32)35)6-7-23-26(22)36-17-29(23)10-12-31(13-11-29)15-19-14-21(19)18-4-2-1-3-5-18/h1-7,19,21,24H,8-17H2,(H,30,33,34)/t19-,21-,24?/m0/s1.

What are the key properties of 3-[6-oxo-1'-[[(1R,2R)-2-phenylcyclopropyl]methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

3-[6-oxo-1'-[[(1R,2R)-2-phenylcyclopropyl]methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione has a molecular weight of 485.58 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-oxo-1'-[[(1R,2R)-2-phenylcyclopropyl]methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is sourced from PubChem (CID 176808522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).