tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

C31H44N6O4 — CID 175984559

About tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 175984559) has the molecular formula C31H44N6O4 and a molecular weight of 564.73 g/mol. Its IUPAC name is tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
• PubChem CID: 175984559
• Molecular Formula: C31H44N6O4
• Molecular Weight: 564.73 g/mol
• Exact Mass: 564.34
• IUPAC Name: tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
• SMILES: Cn1nc(C2CCC(=O)NC2=O)c2ccc(N3CCC(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)CC3)cc21
• InChI: InChI=1S/C31H44N6O4/c1-30(2,3)41-29(40)37-15-11-31(12-16-37)19-35(20-31)18-21-9-13-36(14-10-21)22-5-6-23-25(17-22)34(4)33-27(23)24-7-8-26(38)32-28(24)39/h5-6,17,21,24H,7-16,18-20H2,1-4H3,(H,32,38,39)
• InChIKey: TTYDRHNRVIRHPN-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 100.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.73
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?

The IUPAC name of tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 175984559) is tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.

What is the SMILES notation for tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?

The canonical SMILES for tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is Cn1nc(C2CCC(=O)NC2=O)c2ccc(N3CCC(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)CC3)cc21.

What is the InChIKey of tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?

The InChIKey is TTYDRHNRVIRHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N6O4/c1-30(2,3)41-29(40)37-15-11-31(12-16-37)19-35(20-31)18-21-9-13-36(14-10-21)22-5-6-23-25(17-22)34(4)33-27(23)24-7-8-26(38)32-28(24)39/h5-6,17,21,24H,7-16,18-20H2,1-4H3,(H,32,38,39).

What are the key properties of tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?

tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 564.73 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 175984559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).