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

C115H141ClF7N15O12 — CID 165037115

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

3-[4-[1-[2-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[2-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]anilino]piperidine-2,6-dione (PubChem CID 165037115) has the molecular formula C115H141ClF7N15O12 and a molecular weight of 2093.92 g/mol. Its IUPAC name is 3-[4-[1-[2-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[2-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]anilino]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[4-[1-[2-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[2-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]anilino]piperidine-2,6-dione
• PubChem CID: 165037115
• Molecular Formula: C115H141ClF7N15O12
• Molecular Weight: 2093.92 g/mol
• Exact Mass: 2092.05
• IUPAC Name: 3-[4-[1-[2-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[2-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]anilino]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CN1CCC(CCN2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(F)c1CN1CCC(N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1.Cc1c(-c2ccc(CN3CCC(CCN4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5F)CC4)CC3)c(OC(F)(F)F)c2)cn(C)c(=O)c1C
• InChI: InChI=1S/C39H49ClFN5O4.C39H47F4N5O4.C37H45F2N5O4/c1-24-25(2)39(49)44(3)22-31(24)28-19-33(40)32(36(20-28)50-4)23-46-15-10-26(11-16-46)9-14-45-17-12-27(13-18-45)30-6-5-29(21-34(30)41)42-35-7-8-37(47)43-38(35)48;1-24-25(2)38(51)46(3)23-32(24)28-4-5-29(35(20-28)52-39(41,42)43)22-48-16-11-26(12-17-48)10-15-47-18-13-27(14-19-47)31-7-6-30(21-33(31)40)44-34-8-9-36(49)45-37(34)50;1-22-23(2)37(47)42(3)20-29(22)25-17-31(38)30(34(18-25)48-4)21-43-13-11-27(12-14-43)44-15-9-24(10-16-44)28-6-5-26(19-32(28)39)40-33-7-8-35(45)41-36(33)46/h5-6,19-22,26-27,35,42H,7-18,23H2,1-4H3,(H,43,47,48);4-7,20-21,23,26-27,34,44H,8-19,22H2,1-3H3,(H,45,49,50);5-6,17-20,24,27,33,40H,7-16,21H2,1-4H3,(H,41,45,46)
• InChIKey: NNZZULKQBWDKIG-UHFFFAOYSA-N
• XLogP: 17.59
• TPSA: 287.73 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2093.92
LogP ≤ 5	17.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[4-[1-[2-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[2-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]anilino]piperidine-2,6-dione (CID 165037115) is 3-[4-[1-[2-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[2-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]anilino]piperidine-2,6-dione.

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

The canonical SMILES for 3-[4-[1-[2-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[2-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]anilino]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CN1CCC(CCN2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(F)c1CN1CCC(N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1.Cc1c(-c2ccc(CN3CCC(CCN4CCC(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-[1-[2-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[2-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]anilino]piperidine-2,6-dione?

The InChIKey is NNZZULKQBWDKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H49ClFN5O4.C39H47F4N5O4.C37H45F2N5O4/c1-24-25(2)39(49)44(3)22-31(24)28-19-33(40)32(36(20-28)50-4)23-46-15-10-26(11-16-46)9-14-45-17-12-27(13-18-45)30-6-5-29(21-34(30)41)42-35-7-8-37(47)43-38(35)48;1-24-25(2)38(51)46(3)23-32(24)28-4-5-29(35(20-28)52-39(41,42)43)22-48-16-11-26(12-17-48)10-15-47-18-13-27(14-19-47)31-7-6-30(21-33(31)40)44-34-8-9-36(49)45-37(34)50;1-22-23(2)37(47)42(3)20-29(22)25-17-31(38)30(34(18-25)48-4)21-43-13-11-27(12-14-43)44-15-9-24(10-16-44)28-6-5-26(19-32(28)39)40-33-7-8-35(45)41-36(33)46/h5-6,19-22,26-27,35,42H,7-18,23H2,1-4H3,(H,43,47,48);4-7,20-21,23,26-27,34,44H,8-19,22H2,1-3H3,(H,45,49,50);5-6,17-20,24,27,33,40H,7-16,21H2,1-4H3,(H,41,45,46).

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

3-[4-[1-[2-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[2-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]anilino]piperidine-2,6-dione has a molecular weight of 2093.92 g/mol, XLogP of 17.59, 28 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[1-[2-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[2-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]anilino]piperidine-2,6-dione is sourced from PubChem (CID 165037115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).