5-[3-chloro-4-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-chloro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3-fluoro-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one

C121H160Cl2F6N10O13 — CID 165095887

IUPAC5-[3-chloro-4-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-chloro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3-fluoro-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one
SMILESCOc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1C(=O)N1CCC(C(C)C)CC1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CN1CCC(F)(C(C)C)CC1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(F)c1CN1CCC(C(C)C)C(F)(F)C1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1CCC(C(C)C)C(F)(F)C1.COc1cc(-c2cn(C)c(=O)c(C)c2C)ccc1C(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C25H34F2N2O3.C24H32ClFN2O2.C24H31ClN2O3.C24H31F3N2O2.C24H32N2O3/c1-15(2)21-8-9-29(14-25(21,26)27)13-20-22(31-6)10-18(11-23(20)32-7)19-12-28(5)24(30)17(4)16(19)3;1-15(2)24(26)7-9-28(10-8-24)14-20-21(25)11-18(12-22(20)30-6)19-13-27(5)23(29)17(4)16(19)3;1-14(2)17-7-9-27(10-8-17)24(29)22-20(25)11-18(12-21(22)30-6)19-13-26(5)23(28)16(4)15(19)3;1-14(2)20-7-8-29(13-24(20,26)27)12-19-21(25)9-17(10-22(19)31-6)18-11-28(5)23(30)16(4)15(18)3;1-15(2)18-9-11-26(12-10-18)24(28)20-8-7-19(13-22(20)29-6)21-14-25(5)23(27)17(4)16(21)3/h10-12,15,21H,8-9,13-14H2,1-7H3;11-13,15H,7-10,14H2,1-6H3;11-14,17H,7-10H2,1-6H3;9-11,14,20H,7-8,12-13H2,1-6H3;7-8,13-15,18H,9-12H2,1-6H3
InChIKeyXMMSQTWNXDVPEN-UHFFFAOYSA-N
MW2147.56 g/mol
LogP24.05
Rot. Bonds24

About 5-[3-chloro-4-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-chloro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3-fluoro-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one

5-[3-chloro-4-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-chloro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3-fluoro-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one (PubChem CID 165095887) has the molecular formula C121H160Cl2F6N10O13 and a molecular weight of 2147.56 g/mol. Its IUPAC name is 5-[3-chloro-4-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-chloro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3-fluoro-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one.

Molecular Properties

Compound Name5-[3-chloro-4-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-chloro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3-fluoro-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one
PubChem CID165095887
Molecular FormulaC121H160Cl2F6N10O13
Molecular Weight2147.56 g/mol
Exact Mass2145.14
IUPAC Name5-[3-chloro-4-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-chloro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3-fluoro-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one
SMILESCOc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1C(=O)N1CCC(C(C)C)CC1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CN1CCC(F)(C(C)C)CC1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(F)c1CN1CCC(C(C)C)C(F)(F)C1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1CCC(C(C)C)C(F)(F)C1.COc1cc(-c2cn(C)c(=O)c(C)c2C)ccc1C(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C25H34F2N2O3.C24H32ClFN2O2.C24H31ClN2O3.C24H31F3N2O2.C24H32N2O3/c1-15(2)21-8-9-29(14-25(21,26)27)13-20-22(31-6)10-18(11-23(20)32-7)19-12-28(5)24(30)17(4)16(19)3;1-15(2)24(26)7-9-28(10-8-24)14-20-21(25)11-18(12-22(20)30-6)19-13-27(5)23(29)17(4)16(19)3;1-14(2)17-7-9-27(10-8-17)24(29)22-20(25)11-18(12-21(22)30-6)19-13-26(5)23(28)16(4)15(19)3;1-14(2)20-7-8-29(13-24(20,26)27)12-19-21(25)9-17(10-22(19)31-6)18-11-28(5)23(30)16(4)15(18)3;1-15(2)18-9-11-26(12-10-18)24(28)20-8-7-19(13-22(20)29-6)21-14-25(5)23(27)17(4)16(21)3/h10-12,15,21H,8-9,13-14H2,1-7H3;11-13,15H,7-10,14H2,1-6H3;11-14,17H,7-10H2,1-6H3;9-11,14,20H,7-8,12-13H2,1-6H3;7-8,13-15,18H,9-12H2,1-6H3
InChIKeyXMMSQTWNXDVPEN-UHFFFAOYSA-N
XLogP24.05
TPSA215.72 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms152
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002147.56
LogP ≤ 524.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 5-[3-chloro-4-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-chloro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3-fluoro-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-chloro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3-fluoro-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one?
The IUPAC name of 5-[3-chloro-4-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-chloro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3-fluoro-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one (CID 165095887) is 5-[3-chloro-4-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-chloro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3-fluoro-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one.
What is the SMILES notation for 5-[3-chloro-4-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-chloro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3-fluoro-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one?
The canonical SMILES for 5-[3-chloro-4-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-chloro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3-fluoro-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one is COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1C(=O)N1CCC(C(C)C)CC1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CN1CCC(F)(C(C)C)CC1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(F)c1CN1CCC(C(C)C)C(F)(F)C1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1CCC(C(C)C)C(F)(F)C1.COc1cc(-c2cn(C)c(=O)c(C)c2C)ccc1C(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of 5-[3-chloro-4-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-chloro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3-fluoro-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one?
The InChIKey is XMMSQTWNXDVPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F2N2O3.C24H32ClFN2O2.C24H31ClN2O3.C24H31F3N2O2.C24H32N2O3/c1-15(2)21-8-9-29(14-25(21,26)27)13-20-22(31-6)10-18(11-23(20)32-7)19-12-28(5)24(30)17(4)16(19)3;1-15(2)24(26)7-9-28(10-8-24)14-20-21(25)11-18(12-22(20)30-6)19-13-27(5)23(29)17(4)16(19)3;1-14(2)17-7-9-27(10-8-17)24(29)22-20(25)11-18(12-21(22)30-6)19-13-26(5)23(28)16(4)15(19)3;1-14(2)20-7-8-29(13-24(20,26)27)12-19-21(25)9-17(10-22(19)31-6)18-11-28(5)23(30)16(4)15(18)3;1-15(2)18-9-11-26(12-10-18)24(28)20-8-7-19(13-22(20)29-6)21-14-25(5)23(27)17(4)16(21)3/h10-12,15,21H,8-9,13-14H2,1-7H3;11-13,15H,7-10,14H2,1-6H3;11-14,17H,7-10H2,1-6H3;9-11,14,20H,7-8,12-13H2,1-6H3;7-8,13-15,18H,9-12H2,1-6H3.
What are the key properties of 5-[3-chloro-4-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-chloro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3-fluoro-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one?
5-[3-chloro-4-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-chloro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3-fluoro-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one has a molecular weight of 2147.56 g/mol, XLogP of 24.05, 24 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-chloro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[4-[(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)methyl]-3-fluoro-5-methoxyphenyl]-1,3,4-trimethylpyridin-2-one;5-[3-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-1,3,4-trimethylpyridin-2-one is sourced from PubChem (CID 165095887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).