N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide

C46H54N8O8 — CID 163268213

About N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide

N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 163268213) has the molecular formula C46H54N8O8 and a molecular weight of 846.99 g/mol. Its IUPAC name is N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide
• PubChem CID: 163268213
• Molecular Formula: C46H54N8O8
• Molecular Weight: 846.99 g/mol
• Exact Mass: 846.41
• IUPAC Name: N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide
• SMILES: CCOc1cc(OC2CCC(NC(=O)c3cnc(N4CCC(CN(C(C)C)C5CC(Oc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)cn3)CC2)ccc1C#N
• InChI: InChI=1S/C46H54N8O8/c1-4-60-40-22-34(8-5-29(40)23-47)61-32-9-6-30(7-10-32)50-43(56)38-24-49-41(25-48-38)52-17-15-28(16-18-52)26-53(27(2)3)31-19-35(20-31)62-33-11-12-36-37(21-33)46(59)54(45(36)58)39-13-14-42(55)51-44(39)57/h5,8,11-12,21-22,24-25,27-28,30-32,35,39H,4,6-7,9-10,13-20,26H2,1-3H3,(H,50,56)(H,51,55,57)
• InChIKey: RRFXMIHBDAACSK-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 196.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	846.99
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
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 N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide (CID 163268213) is N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide is CCOc1cc(OC2CCC(NC(=O)c3cnc(N4CCC(CN(C(C)C)C5CC(Oc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)cn3)CC2)ccc1C#N.

What is the InChIKey of N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide?

The InChIKey is RRFXMIHBDAACSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54N8O8/c1-4-60-40-22-34(8-5-29(40)23-47)61-32-9-6-30(7-10-32)50-43(56)38-24-49-41(25-48-38)52-17-15-28(16-18-52)26-53(27(2)3)31-19-35(20-31)62-33-11-12-36-37(21-33)46(59)54(45(36)58)39-13-14-42(55)51-44(39)57/h5,8,11-12,21-22,24-25,27-28,30-32,35,39H,4,6-7,9-10,13-20,26H2,1-3H3,(H,50,56)(H,51,55,57).

What are the key properties of N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide?

N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 846.99 g/mol, XLogP of 4.80, 14 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 163268213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).