4-[7-[[4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione;4-[3-oxo-7-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione

C149H159ClF3N11O23 — CID 158713818

About 4-[7-[[4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione;4-[3-oxo-7-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione

4-[7-[[4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione;4-[3-oxo-7-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione (PubChem CID 158713818) has the molecular formula C149H159ClF3N11O23 and a molecular weight of 2564.41 g/mol. Its IUPAC name is 4-[7-[[4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione;4-[3-oxo-7-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione.

Molecular Properties

• Compound Name: 4-[7-[[4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione;4-[3-oxo-7-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
• PubChem CID: 158713818
• Molecular Formula: C149H159ClF3N11O23
• Molecular Weight: 2564.41 g/mol
• Exact Mass: 2562.13
• IUPAC Name: 4-[7-[[4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione;4-[3-oxo-7-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
• SMILES: CC1(C)CCN(Cc2ccc(COc3cccc4c3C(=O)N(C3CCC(=O)CC3=O)C4=O)cc2)CC1.O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCC(C(F)(F)F)CC5)cc4)c3C2=O)C(=O)C1.O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCCCC5)cc4)c3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC(N6CCCCC6)CC5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC(c6cccc(Cl)c6)CC5)cc4)cccc3C2=O)C(=O)C1
• InChI: InChI=1S/C33H33ClN2O4.C32H39N3O4.C29H32N2O5.C28H27F3N2O5.C27H28N2O5/c34-26-4-1-3-25(17-26)24-13-15-35(16-14-24)19-22-7-9-23(10-8-22)21-40-32-6-2-5-28-29(32)20-36(33(28)39)30-12-11-27(37)18-31(30)38;36-26-11-12-29(30(37)19-26)35-21-28-27(32(35)38)5-4-6-31(28)39-22-24-9-7-23(8-10-24)20-33-17-13-25(14-18-33)34-15-2-1-3-16-34;1-29(2)12-14-30(15-13-29)17-19-6-8-20(9-7-19)18-36-25-5-3-4-22-26(25)28(35)31(27(22)34)23-11-10-21(32)16-24(23)33;29-28(30,31)19-10-12-32(13-11-19)15-17-4-6-18(7-5-17)16-38-24-3-1-2-21-25(24)27(37)33(26(21)36)22-9-8-20(34)14-23(22)35;30-20-11-12-22(23(31)15-20)29-26(32)21-5-4-6-24(25(21)27(29)33)34-17-19-9-7-18(8-10-19)16-28-13-2-1-3-14-28/h1-10,17,24,30H,11-16,18-21H2;4-10,25,29H,1-3,11-22H2;3-9,23H,10-18H2,1-2H3;1-7,19,22H,8-16H2;4-10,22H,1-3,11-17H2
• InChIKey: IJBCVYOLFKRZNV-UHFFFAOYSA-N
• XLogP: 22.35
• TPSA: 389.05 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 32
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2564.41
LogP ≤ 5	22.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

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-[7-[[4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione;4-[3-oxo-7-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?

The IUPAC name of 4-[7-[[4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione;4-[3-oxo-7-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione (CID 158713818) is 4-[7-[[4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione;4-[3-oxo-7-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione.

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

The canonical SMILES for 4-[7-[[4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione;4-[3-oxo-7-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione is CC1(C)CCN(Cc2ccc(COc3cccc4c3C(=O)N(C3CCC(=O)CC3=O)C4=O)cc2)CC1.O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCC(C(F)(F)F)CC5)cc4)c3C2=O)C(=O)C1.O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCCCC5)cc4)c3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC(N6CCCCC6)CC5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC(c6cccc(Cl)c6)CC5)cc4)cccc3C2=O)C(=O)C1.

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

The InChIKey is IJBCVYOLFKRZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33ClN2O4.C32H39N3O4.C29H32N2O5.C28H27F3N2O5.C27H28N2O5/c34-26-4-1-3-25(17-26)24-13-15-35(16-14-24)19-22-7-9-23(10-8-22)21-40-32-6-2-5-28-29(32)20-36(33(28)39)30-12-11-27(37)18-31(30)38;36-26-11-12-29(30(37)19-26)35-21-28-27(32(35)38)5-4-6-31(28)39-22-24-9-7-23(8-10-24)20-33-17-13-25(14-18-33)34-15-2-1-3-16-34;1-29(2)12-14-30(15-13-29)17-19-6-8-20(9-7-19)18-36-25-5-3-4-22-26(25)28(35)31(27(22)34)23-11-10-21(32)16-24(23)33;29-28(30,31)19-10-12-32(13-11-19)15-17-4-6-18(7-5-17)16-38-24-3-1-2-21-25(24)27(37)33(26(21)36)22-9-8-20(34)14-23(22)35;30-20-11-12-22(23(31)15-20)29-26(32)21-5-4-6-24(25(21)27(29)33)34-17-19-9-7-18(8-10-19)16-28-13-2-1-3-14-28/h1-10,17,24,30H,11-16,18-21H2;4-10,25,29H,1-3,11-22H2;3-9,23H,10-18H2,1-2H3;1-7,19,22H,8-16H2;4-10,22H,1-3,11-17H2.

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

4-[7-[[4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione;4-[3-oxo-7-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione has a molecular weight of 2564.41 g/mol, XLogP of 22.35, 32 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[[4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione;4-[3-oxo-7-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione is sourced from PubChem (CID 158713818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).