4-[[4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;4-[7-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione

C126H120ClF7N10O19 — CID 158049008

About 4-[[4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;4-[7-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione

4-[[4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;4-[7-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione (PubChem CID 158049008) has the molecular formula C126H120ClF7N10O19 and a molecular weight of 2246.84 g/mol. Its IUPAC name is 4-[[4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;4-[7-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[[4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;4-[7-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione
• PubChem CID: 158049008
• Molecular Formula: C126H120ClF7N10O19
• Molecular Weight: 2246.84 g/mol
• Exact Mass: 2244.83
• IUPAC Name: 4-[[4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;4-[7-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCC(c6ccc(Cl)cc6)CC5)cc4)c3C2=O)C(=O)C1.O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCC(c6ccc(F)cc6F)CC5)cc4)c3C2=O)C(=O)C1.O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCN(CC(F)(F)F)CC5)cc4)c3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(c6ccc(F)cc6F)CC5)cc4)cccc3C2=O)C(=O)C1
• InChI: InChI=1S/C33H31ClN2O5.C33H30F2N2O5.C32H31F2N3O4.C28H28F3N3O5/c34-25-10-8-23(9-11-25)24-14-16-35(17-15-24)19-21-4-6-22(7-5-21)20-41-30-3-1-2-27-31(30)33(40)36(32(27)39)28-13-12-26(37)18-29(28)38;34-23-8-10-25(27(35)16-23)22-12-14-36(15-13-22)18-20-4-6-21(7-5-20)19-42-30-3-1-2-26-31(30)33(41)37(32(26)40)28-11-9-24(38)17-29(28)39;33-23-8-10-28(27(34)16-23)36-14-12-35(13-15-36)18-21-4-6-22(7-5-21)20-41-31-3-1-2-25-26(31)19-37(32(25)40)29-11-9-24(38)17-30(29)39;29-28(30,31)17-33-12-10-32(11-13-33)15-18-4-6-19(7-5-18)16-39-24-3-1-2-21-25(24)27(38)34(26(21)37)22-9-8-20(35)14-23(22)36/h1-11,24,28H,12-20H2;1-8,10,16,22,28H,9,11-15,17-19H2;1-8,10,16,29H,9,11-15,17-20H2;1-7,22H,8-17H2
• InChIKey: FJGIAPWCIFWCAG-UHFFFAOYSA-N
• XLogP: 18.54
• TPSA: 325.37 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2246.84
LogP ≤ 5	18.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;4-[7-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione?

The IUPAC name of 4-[[4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;4-[7-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione (CID 158049008) is 4-[[4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;4-[7-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione.

What is the SMILES notation for 4-[[4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;4-[7-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione?

The canonical SMILES for 4-[[4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;4-[7-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCC(c6ccc(Cl)cc6)CC5)cc4)c3C2=O)C(=O)C1.O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCC(c6ccc(F)cc6F)CC5)cc4)c3C2=O)C(=O)C1.O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCN(CC(F)(F)F)CC5)cc4)c3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(c6ccc(F)cc6F)CC5)cc4)cccc3C2=O)C(=O)C1.

What is the InChIKey of 4-[[4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;4-[7-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione?

The InChIKey is FJGIAPWCIFWCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31ClN2O5.C33H30F2N2O5.C32H31F2N3O4.C28H28F3N3O5/c34-25-10-8-23(9-11-25)24-14-16-35(17-15-24)19-21-4-6-22(7-5-21)20-41-30-3-1-2-27-31(30)33(40)36(32(27)39)28-13-12-26(37)18-29(28)38;34-23-8-10-25(27(35)16-23)22-12-14-36(15-13-22)18-20-4-6-21(7-5-20)19-42-30-3-1-2-26-31(30)33(41)37(32(26)40)28-11-9-24(38)17-29(28)39;33-23-8-10-28(27(34)16-23)36-14-12-35(13-15-36)18-21-4-6-22(7-5-21)20-41-31-3-1-2-25-26(31)19-37(32(25)40)29-11-9-24(38)17-30(29)39;29-28(30,31)17-33-12-10-32(11-13-33)15-18-4-6-19(7-5-18)16-39-24-3-1-2-21-25(24)27(38)34(26(21)37)22-9-8-20(35)14-23(22)36/h1-11,24,28H,12-20H2;1-8,10,16,22,28H,9,11-15,17-19H2;1-8,10,16,29H,9,11-15,17-20H2;1-7,22H,8-17H2.

What are the key properties of 4-[[4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;4-[7-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione?

4-[[4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;4-[7-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione has a molecular weight of 2246.84 g/mol, XLogP of 18.54, 28 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;4-[7-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione is sourced from PubChem (CID 158049008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).