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

C117H139Cl4F4N15O15 — CID 164981733

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

3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione (PubChem CID 164981733) has the molecular formula C117H139Cl4F4N15O15 and a molecular weight of 2213.29 g/mol. Its IUPAC name is 3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione
• PubChem CID: 164981733
• Molecular Formula: C117H139Cl4F4N15O15
• Molecular Weight: 2213.29 g/mol
• Exact Mass: 2209.93
• IUPAC Name: 3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CC1CCN(CC(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3Cl)CC2)CC1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(F)c1CC1CCN(CC(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3Cl)CC2)CC1.Cc1c(-c2ccc(CC3CCN(CC(=O)N4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5Cl)CC4)CC3)c(OC(F)(F)F)c2)cn(C)c(=O)c1C
• InChI: InChI=1S/C39H47Cl2N5O5.C39H45ClF3N5O5.C39H47ClFN5O5/c1-23-24(2)39(50)44(3)21-31(23)27-18-32(40)30(35(19-27)51-4)17-25-9-13-45(14-10-25)22-37(48)46-15-11-26(12-16-46)29-6-5-28(20-33(29)41)42-34-7-8-36(47)43-38(34)49;1-23-24(2)38(52)46(3)21-31(23)27-4-5-28(34(19-27)53-39(41,42)43)18-25-10-14-47(15-11-25)22-36(50)48-16-12-26(13-17-48)30-7-6-29(20-32(30)40)44-33-8-9-35(49)45-37(33)51;1-23-24(2)39(50)44(3)21-31(23)27-18-33(41)30(35(19-27)51-4)17-25-9-13-45(14-10-25)22-37(48)46-15-11-26(12-16-46)29-6-5-28(20-32(29)40)42-34-7-8-36(47)43-38(34)49/h5-6,18-21,25-26,34,42H,7-17,22H2,1-4H3,(H,43,47,49);4-7,19-21,25-26,33,44H,8-18,22H2,1-3H3,(H,45,49,51);5-6,18-21,25-26,34,42H,7-17,22H2,1-4H3,(H,43,47,49)
• InChIKey: FOZCTNDDGIBWGX-UHFFFAOYSA-N
• XLogP: 17.31
• TPSA: 338.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2213.29
LogP ≤ 5	17.31
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-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione?

The IUPAC name of 3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione (CID 164981733) is 3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione.

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

The canonical SMILES for 3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CC1CCN(CC(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3Cl)CC2)CC1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(F)c1CC1CCN(CC(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3Cl)CC2)CC1.Cc1c(-c2ccc(CC3CCN(CC(=O)N4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5Cl)CC4)CC3)c(OC(F)(F)F)c2)cn(C)c(=O)c1C.

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

The InChIKey is FOZCTNDDGIBWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H47Cl2N5O5.C39H45ClF3N5O5.C39H47ClFN5O5/c1-23-24(2)39(50)44(3)21-31(23)27-18-32(40)30(35(19-27)51-4)17-25-9-13-45(14-10-25)22-37(48)46-15-11-26(12-16-46)29-6-5-28(20-33(29)41)42-34-7-8-36(47)43-38(34)49;1-23-24(2)38(52)46(3)21-31(23)27-4-5-28(34(19-27)53-39(41,42)43)18-25-10-14-47(15-11-25)22-36(50)48-16-12-26(13-17-48)30-7-6-29(20-32(30)40)44-33-8-9-35(49)45-37(33)51;1-23-24(2)39(50)44(3)21-31(23)27-18-33(41)30(35(19-27)51-4)17-25-9-13-45(14-10-25)22-37(48)46-15-11-26(12-16-46)29-6-5-28(20-32(29)40)42-34-7-8-36(47)43-38(34)49/h5-6,18-21,25-26,34,42H,7-17,22H2,1-4H3,(H,43,47,49);4-7,19-21,25-26,33,44H,8-18,22H2,1-3H3,(H,45,49,51);5-6,18-21,25-26,34,42H,7-17,22H2,1-4H3,(H,43,47,49).

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

3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione has a molecular weight of 2213.29 g/mol, XLogP of 17.31, 27 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-chloro-4-[1-[2-[4-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione is sourced from PubChem (CID 164981733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).