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

C54H55FN4O7 — CID 142368407

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
SMILESO=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/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/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)/t41?,43?,45-,49?,51?/m1/s1
InChIKeyARZIPGCOWBDFIH-GPXOKICISA-N
MW891.05 g/mol
LogP8.20
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

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 (PubChem CID 142368407) has the molecular formula C54H55FN4O7 and a molecular weight of 891.05 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.

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
PubChem CID142368407
Molecular FormulaC54H55FN4O7
Molecular Weight891.05 g/mol
Exact Mass890.41
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
SMILESO=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/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/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)/t41?,43?,45-,49?,51?/m1/s1
InChIKeyARZIPGCOWBDFIH-GPXOKICISA-N
XLogP8.20
TPSA117.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.05
LogP ≤ 58.20
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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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?
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 (CID 142368407) 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.
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?
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 is 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?
The InChIKey is ARZIPGCOWBDFIH-GPXOKICISA-N. The full InChI is InChI=1S/C54H55FN4O7/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/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)/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?
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 has a molecular weight of 891.05 g/mol, XLogP of 8.20, 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 is sourced from PubChem (CID 142368407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).