tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]propan-2-yl]piperazine-1-carboxylate

C30H44N6O4 — CID 170432573

About tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]propan-2-yl]piperazine-1-carboxylate

tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]propan-2-yl]piperazine-1-carboxylate (PubChem CID 170432573) has the molecular formula C30H44N6O4 and a molecular weight of 552.72 g/mol. Its IUPAC name is tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]propan-2-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]propan-2-yl]piperazine-1-carboxylate
• PubChem CID: 170432573
• Molecular Formula: C30H44N6O4
• Molecular Weight: 552.72 g/mol
• Exact Mass: 552.34
• IUPAC Name: tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]propan-2-yl]piperazine-1-carboxylate
• SMILES: Cn1nc(C2CCC(=O)NC2=O)c2cccc(N3CCC(C(C)(C)N4CCN(C(=O)OC(C)(C)C)CC4)CC3)c21
• InChI: InChI=1S/C30H44N6O4/c1-29(2,3)40-28(39)35-16-18-36(19-17-35)30(4,5)20-12-14-34(15-13-20)23-9-7-8-21-25(32-33(6)26(21)23)22-10-11-24(37)31-27(22)38/h7-9,20,22H,10-19H2,1-6H3,(H,31,37,38)
• InChIKey: QCYAEWLFKWYAFC-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 100.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.72
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 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]propan-2-yl]piperazine-1-carboxylate?

The IUPAC name of tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]propan-2-yl]piperazine-1-carboxylate (CID 170432573) is tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]propan-2-yl]piperazine-1-carboxylate.

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

The canonical SMILES for tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]propan-2-yl]piperazine-1-carboxylate is Cn1nc(C2CCC(=O)NC2=O)c2cccc(N3CCC(C(C)(C)N4CCN(C(=O)OC(C)(C)C)CC4)CC3)c21.

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

The InChIKey is QCYAEWLFKWYAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N6O4/c1-29(2,3)40-28(39)35-16-18-36(19-17-35)30(4,5)20-12-14-34(15-13-20)23-9-7-8-21-25(32-33(6)26(21)23)22-10-11-24(37)31-27(22)38/h7-9,20,22H,10-19H2,1-6H3,(H,31,37,38).

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

tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]propan-2-yl]piperazine-1-carboxylate has a molecular weight of 552.72 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 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]propan-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 170432573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).