tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane

C33H51N5O4 — CID 178160748

About tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane

tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane (PubChem CID 178160748) has the molecular formula C33H51N5O4 and a molecular weight of 581.80 g/mol. Its IUPAC name is tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane.

Molecular Properties

• Compound Name: tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane
• PubChem CID: 178160748
• Molecular Formula: C33H51N5O4
• Molecular Weight: 581.80 g/mol
• Exact Mass: 581.39
• IUPAC Name: tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane
• SMILES: CC.Cn1nc(C2CCC(=O)NC2=O)c2ccc(N3CCC(C(C)(C)C4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc21
• InChI: InChI=1S/C31H45N5O4.C2H6/c1-30(2,3)40-29(39)36-17-13-21(14-18-36)31(4,5)20-11-15-35(16-12-20)22-7-8-23-25(19-22)34(6)33-27(23)24-9-10-26(37)32-28(24)38;1-2/h7-8,19-21,24H,9-18H2,1-6H3,(H,32,37,38);1-2H3
• InChIKey: FLHHONLLIVKPEN-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 96.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.80
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane?

The IUPAC name of tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane (CID 178160748) is tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane.

What is the SMILES notation for tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane?

The canonical SMILES for tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane is CC.Cn1nc(C2CCC(=O)NC2=O)c2ccc(N3CCC(C(C)(C)C4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc21.

What is the InChIKey of tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane?

The InChIKey is FLHHONLLIVKPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45N5O4.C2H6/c1-30(2,3)40-29(39)36-17-13-21(14-18-36)31(4,5)20-11-15-35(16-12-20)22-7-8-23-25(19-22)34(6)33-27(23)24-9-10-26(37)32-28(24)38;1-2/h7-8,19-21,24H,9-18H2,1-6H3,(H,32,37,38);1-2H3.

What are the key properties of tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane?

tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane has a molecular weight of 581.80 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane is sourced from PubChem (CID 178160748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).