N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidin-1-yl]pyrazine-2-carboxamide

C₄₃H₄₆ClN₉O₆ — CID 155218695

About N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidin-1-yl]pyrazine-2-carboxamide

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 155218695) has the molecular formula C₄₃H₄₆ClN₉O₆ and a molecular weight of 820.35 g/mol. Its IUPAC name is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidin-1-yl]pyrazine-2-carboxamide
• PubChem CID: 155218695
• Molecular Formula: C₄₃H₄₆ClN₉O₆
• Molecular Weight: 820.35 g/mol
• Exact Mass: 819.33
• IUPAC Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidin-1-yl]pyrazine-2-carboxamide
• SMILES: N#Cc1ccc(OC2CCC(NC(=O)c3cnc(N4CCC(N5CCC6(CC5)CN(c5ccc7c(c5)C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)CC4)cn3)CC2)cc1Cl
• InChI: InChI=1S/C43H46ClN9O6/c44-34-20-31(5-1-26(34)21-45)59-30-6-2-27(3-7-30)48-39(55)35-22-47-37(23-46-35)51-15-11-28(12-16-51)50-17-13-43(14-18-50)24-52(25-43)29-4-8-32-33(19-29)42(58)53(41(32)57)36-9-10-38(54)49-40(36)56/h1,4-5,8,19-20,22-23,27-28,30,36H,2-3,6-7,9-18,24-25H2,(H,48,55)(H,49,54,56)
• InChIKey: RLKOYFXPSPCVRH-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 181.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.35
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidin-1-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidin-1-yl]pyrazine-2-carboxamide (CID 155218695) is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidin-1-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidin-1-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidin-1-yl]pyrazine-2-carboxamide is N#Cc1ccc(OC2CCC(NC(=O)c3cnc(N4CCC(N5CCC6(CC5)CN(c5ccc7c(c5)C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)CC4)cn3)CC2)cc1Cl.

What is the InChIKey of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidin-1-yl]pyrazine-2-carboxamide?

The InChIKey is RLKOYFXPSPCVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46ClN9O6/c44-34-20-31(5-1-26(34)21-45)59-30-6-2-27(3-7-30)48-39(55)35-22-47-37(23-46-35)51-15-11-28(12-16-51)50-17-13-43(14-18-50)24-52(25-43)29-4-8-32-33(19-29)42(58)53(41(32)57)36-9-10-38(54)49-40(36)56/h1,4-5,8,19-20,22-23,27-28,30,36H,2-3,6-7,9-18,24-25H2,(H,48,55)(H,49,54,56).

What are the key properties of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidin-1-yl]pyrazine-2-carboxamide?

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 820.35 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 155218695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155218695 — identifiers, structure, computed properties (public domain)

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