tert-butyl 6-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate

C48H60N10O7 — CID 170541329

About tert-butyl 6-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate (PubChem CID 170541329) has the molecular formula C48H60N10O7 and a molecular weight of 889.07 g/mol. Its IUPAC name is tert-butyl 6-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 6-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate
• PubChem CID: 170541329
• Molecular Formula: C48H60N10O7
• Molecular Weight: 889.07 g/mol
• Exact Mass: 888.46
• IUPAC Name: tert-butyl 6-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CC2(CC(C(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CN3CCC(c4ccc(Nc5nc(N6CCCCC6)cnc5C(N)=O)cc4)CC3)C2)C1
• InChI: InChI=1S/C48H60N10O7/c1-47(2,3)65-46(64)57-27-48(28-57)22-31(23-48)32(24-50-35-9-7-8-34-39(35)45(63)58(44(34)62)36-14-15-38(59)54-43(36)61)26-55-20-16-30(17-21-55)29-10-12-33(13-11-29)52-42-40(41(49)60)51-25-37(53-42)56-18-5-4-6-19-56/h7-13,25,30-32,36,50H,4-6,14-24,26-28H2,1-3H3,(H2,49,60)(H,52,53)(H,54,59,61)
• InChIKey: QOCPIRZALDSCOY-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 212.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	889.07
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate?

The IUPAC name of tert-butyl 6-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate (CID 170541329) is tert-butyl 6-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate.

What is the SMILES notation for tert-butyl 6-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate?

The canonical SMILES for tert-butyl 6-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CC(C(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CN3CCC(c4ccc(Nc5nc(N6CCCCC6)cnc5C(N)=O)cc4)CC3)C2)C1.

What is the InChIKey of tert-butyl 6-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate?

The InChIKey is QOCPIRZALDSCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H60N10O7/c1-47(2,3)65-46(64)57-27-48(28-57)22-31(23-48)32(24-50-35-9-7-8-34-39(35)45(63)58(44(34)62)36-14-15-38(59)54-43(36)61)26-55-20-16-30(17-21-55)29-10-12-33(13-11-29)52-42-40(41(49)60)51-25-37(53-42)56-18-5-4-6-19-56/h7-13,25,30-32,36,50H,4-6,14-24,26-28H2,1-3H3,(H2,49,60)(H,52,53)(H,54,59,61).

What are the key properties of tert-butyl 6-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate?

tert-butyl 6-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate has a molecular weight of 889.07 g/mol, XLogP of 5.27, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 170541329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).