2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]isoindole-1,3-dione;ethane

C56H61FN4O7 — CID 142368406

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]isoindole-1,3-dione;ethane
SMILESCC.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCOC5CCC(Oc6ccc(C7c8ccc(OCc9ccccc9)cc8CC[C@@H]7c7ccc(F)cc7)cc6)CC5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C54H55FN4O7.C2H6/c55-39-11-6-36(7-12-39)45-21-10-38-32-44(65-34-35-4-2-1-3-5-35)20-23-46(38)51(45)37-8-14-42(15-9-37)66-43-18-16-41(17-19-43)64-31-30-57-26-28-58(29-27-57)40-13-22-47-48(33-40)54(63)59(53(47)62)49-24-25-50(60)56-52(49)61;1-2/h1-9,11-15,20,22-23,32-33,41,43,45,49,51H,10,16-19,21,24-31,34H2,(H,56,60,61);1-2H3/t41?,43?,45-,49?,51?;/m1./s1
InChIKeyYMZHYKXTNAFIKY-XCFJDDEESA-N
MW921.12 g/mol
LogP9.22
Rot. Bonds13

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]isoindole-1,3-dione;ethane

2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]isoindole-1,3-dione;ethane (PubChem CID 142368406) has the molecular formula C56H61FN4O7 and a molecular weight of 921.12 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]isoindole-1,3-dione;ethane.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]isoindole-1,3-dione;ethane
PubChem CID142368406
Molecular FormulaC56H61FN4O7
Molecular Weight921.12 g/mol
Exact Mass920.45
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]isoindole-1,3-dione;ethane
SMILESCC.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCOC5CCC(Oc6ccc(C7c8ccc(OCc9ccccc9)cc8CC[C@@H]7c7ccc(F)cc7)cc6)CC5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C54H55FN4O7.C2H6/c55-39-11-6-36(7-12-39)45-21-10-38-32-44(65-34-35-4-2-1-3-5-35)20-23-46(38)51(45)37-8-14-42(15-9-37)66-43-18-16-41(17-19-43)64-31-30-57-26-28-58(29-27-57)40-13-22-47-48(33-40)54(63)59(53(47)62)49-24-25-50(60)56-52(49)61;1-2/h1-9,11-15,20,22-23,32-33,41,43,45,49,51H,10,16-19,21,24-31,34H2,(H,56,60,61);1-2H3/t41?,43?,45-,49?,51?;/m1./s1
InChIKeyYMZHYKXTNAFIKY-XCFJDDEESA-N
XLogP9.22
TPSA117.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.12
LogP ≤ 59.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]isoindole-1,3-dione;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]isoindole-1,3-dione;ethane?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]isoindole-1,3-dione;ethane (CID 142368406) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]isoindole-1,3-dione;ethane.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]isoindole-1,3-dione;ethane?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]isoindole-1,3-dione;ethane is CC.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCOC5CCC(Oc6ccc(C7c8ccc(OCc9ccccc9)cc8CC[C@@H]7c7ccc(F)cc7)cc6)CC5)CC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]isoindole-1,3-dione;ethane?
The InChIKey is YMZHYKXTNAFIKY-XCFJDDEESA-N. The full InChI is InChI=1S/C54H55FN4O7.C2H6/c55-39-11-6-36(7-12-39)45-21-10-38-32-44(65-34-35-4-2-1-3-5-35)20-23-46(38)51(45)37-8-14-42(15-9-37)66-43-18-16-41(17-19-43)64-31-30-57-26-28-58(29-27-57)40-13-22-47-48(33-40)54(63)59(53(47)62)49-24-25-50(60)56-52(49)61;1-2/h1-9,11-15,20,22-23,32-33,41,43,45,49,51H,10,16-19,21,24-31,34H2,(H,56,60,61);1-2H3/t41?,43?,45-,49?,51?;/m1./s1.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]isoindole-1,3-dione;ethane?
2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]isoindole-1,3-dione;ethane has a molecular weight of 921.12 g/mol, XLogP of 9.22, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]isoindole-1,3-dione;ethane is sourced from PubChem (CID 142368406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).