5-[6-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C34H35ClN4O5 — CID 170784030

About 5-[6-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[6-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 170784030) has the molecular formula C34H35ClN4O5 and a molecular weight of 615.13 g/mol. Its IUPAC name is 5-[6-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[6-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 170784030
• Molecular Formula: C34H35ClN4O5
• Molecular Weight: 615.13 g/mol
• Exact Mass: 614.23
• IUPAC Name: 5-[6-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: CC1(C)CCC(CN2CC3(C2)CN(C(=O)c2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)=C(c2ccc(Cl)cc2)C1
• InChI: InChI=1S/C34H35ClN4O5/c1-33(2)12-11-22(26(14-33)20-3-6-23(35)7-4-20)15-37-16-34(17-37)18-38(19-34)30(42)21-5-8-24-25(13-21)32(44)39(31(24)43)27-9-10-28(40)36-29(27)41/h3-8,13,27H,9-12,14-19H2,1-2H3,(H,36,40,41)
• InChIKey: LSWBCBSEBQKUCE-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 107.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	615.13
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
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 5-[6-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[6-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 170784030) is 5-[6-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[6-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[6-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC1(C)CCC(CN2CC3(C2)CN(C(=O)c2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)=C(c2ccc(Cl)cc2)C1.

What is the InChIKey of 5-[6-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is LSWBCBSEBQKUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35ClN4O5/c1-33(2)12-11-22(26(14-33)20-3-6-23(35)7-4-20)15-37-16-34(17-37)18-38(19-34)30(42)21-5-8-24-25(13-21)32(44)39(31(24)43)27-9-10-28(40)36-29(27)41/h3-8,13,27H,9-12,14-19H2,1-2H3,(H,36,40,41).

What are the key properties of 5-[6-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[6-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 615.13 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 170784030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).