3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;3-[3-fluoro-4-[4-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[4-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione

C156H185ClF11N21O20 — CID 164984286

About 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;3-[3-fluoro-4-[4-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[4-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione

3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;3-[3-fluoro-4-[4-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[4-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione (PubChem CID 164984286) has the molecular formula C156H185ClF11N21O20 and a molecular weight of 2918.75 g/mol. Its IUPAC name is 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;3-[3-fluoro-4-[4-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[4-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;3-[3-fluoro-4-[4-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[4-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione
• PubChem CID: 164984286
• Molecular Formula: C156H185ClF11N21O20
• Molecular Weight: 2918.75 g/mol
• Exact Mass: 2916.36
• IUPAC Name: 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;3-[3-fluoro-4-[4-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[4-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CC1CCN(CC(=O)C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(F)c1CC1CCN(CC(=O)C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1.Cc1c(-c2ccc(CC3CCN(CC(=O)C4CCN(c5ccc(NC6CCC(=O)NC6=O)cc5F)CC4)CC3)c(OC(F)(F)F)c2)cn(C)c(=O)c1C.Cc1c(-c2ccc(CN3CCC(N(C)C(=O)C4CCN(c5ccc(NC6CCC(=O)NC6=O)cc5F)CC4)CC3)c(OC(F)(F)F)c2)cn(C)c(=O)c1C
• InChI: InChI=1S/C39H47ClFN5O5.C39H46F4N6O5.C39H45F4N5O5.C39H47F2N5O5/c1-23-24(2)39(50)44(3)21-30(23)27-18-31(40)29(36(19-27)51-4)17-25-9-13-45(14-10-25)22-35(47)26-11-15-46(16-12-26)34-7-5-28(20-32(34)41)42-33-6-8-37(48)43-38(33)49;1-23-24(2)37(52)46(3)22-30(23)26-5-6-27(34(19-26)54-39(41,42)43)21-48-15-13-29(14-16-48)47(4)38(53)25-11-17-49(18-12-25)33-9-7-28(20-31(33)40)44-32-8-10-35(50)45-36(32)51;1-23-24(2)38(52)46(3)21-30(23)27-4-5-28(35(19-27)53-39(41,42)43)18-25-10-14-47(15-11-25)22-34(49)26-12-16-48(17-13-26)33-8-6-29(20-31(33)40)44-32-7-9-36(50)45-37(32)51;1-23-24(2)39(50)44(3)21-30(23)27-18-31(40)29(36(19-27)51-4)17-25-9-13-45(14-10-25)22-35(47)26-11-15-46(16-12-26)34-7-5-28(20-32(34)41)42-33-6-8-37(48)43-38(33)49/h5,7,18-21,25-26,33,42H,6,8-17,22H2,1-4H3,(H,43,48,49);5-7,9,19-20,22,25,29,32,44H,8,10-18,21H2,1-4H3,(H,45,50,51);4-6,8,19-21,25-26,32,44H,7,9-18,22H2,1-3H3,(H,45,50,51);5,7,18-21,25-26,33,42H,6,8-17,22H2,1-4H3,(H,43,48,49)
• InChIKey: FXXFLUPBWZDDNM-UHFFFAOYSA-N
• XLogP: 21.27
• TPSA: 455.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 39
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2918.75
LogP ≤ 5	21.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;3-[3-fluoro-4-[4-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[4-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione?

The IUPAC name of 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;3-[3-fluoro-4-[4-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[4-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione (CID 164984286) is 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;3-[3-fluoro-4-[4-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[4-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione.

What is the SMILES notation for 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;3-[3-fluoro-4-[4-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[4-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione?

The canonical SMILES for 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;3-[3-fluoro-4-[4-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[4-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CC1CCN(CC(=O)C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(F)c1CC1CCN(CC(=O)C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1.Cc1c(-c2ccc(CC3CCN(CC(=O)C4CCN(c5ccc(NC6CCC(=O)NC6=O)cc5F)CC4)CC3)c(OC(F)(F)F)c2)cn(C)c(=O)c1C.Cc1c(-c2ccc(CN3CCC(N(C)C(=O)C4CCN(c5ccc(NC6CCC(=O)NC6=O)cc5F)CC4)CC3)c(OC(F)(F)F)c2)cn(C)c(=O)c1C.

What is the InChIKey of 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;3-[3-fluoro-4-[4-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[4-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione?

The InChIKey is FXXFLUPBWZDDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H47ClFN5O5.C39H46F4N6O5.C39H45F4N5O5.C39H47F2N5O5/c1-23-24(2)39(50)44(3)21-30(23)27-18-31(40)29(36(19-27)51-4)17-25-9-13-45(14-10-25)22-35(47)26-11-15-46(16-12-26)34-7-5-28(20-32(34)41)42-33-6-8-37(48)43-38(33)49;1-23-24(2)37(52)46(3)22-30(23)26-5-6-27(34(19-26)54-39(41,42)43)21-48-15-13-29(14-16-48)47(4)38(53)25-11-17-49(18-12-25)33-9-7-28(20-31(33)40)44-32-8-10-35(50)45-36(32)51;1-23-24(2)38(52)46(3)21-30(23)27-4-5-28(35(19-27)53-39(41,42)43)18-25-10-14-47(15-11-25)22-34(49)26-12-16-48(17-13-26)33-8-6-29(20-31(33)40)44-32-7-9-36(50)45-37(32)51;1-23-24(2)39(50)44(3)21-30(23)27-18-31(40)29(36(19-27)51-4)17-25-9-13-45(14-10-25)22-35(47)26-11-15-46(16-12-26)34-7-5-28(20-32(34)41)42-33-6-8-37(48)43-38(33)49/h5,7,18-21,25-26,33,42H,6,8-17,22H2,1-4H3,(H,43,48,49);5-7,9,19-20,22,25,29,32,44H,8,10-18,21H2,1-4H3,(H,45,50,51);4-6,8,19-21,25-26,32,44H,7,9-18,22H2,1-3H3,(H,45,50,51);5,7,18-21,25-26,33,42H,6,8-17,22H2,1-4H3,(H,43,48,49).

What are the key properties of 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;3-[3-fluoro-4-[4-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[4-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione?

3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;3-[3-fluoro-4-[4-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[4-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione has a molecular weight of 2918.75 g/mol, XLogP of 21.27, 39 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;3-[3-fluoro-4-[4-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[4-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-1-yl]anilino]piperidine-2,6-dione is sourced from PubChem (CID 164984286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).