C180H215F5N18O11 — CID 159251885
(2R)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclopentylamino)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 159251885) has the molecular formula C180H215F5N18O11 and a molecular weight of 2901.80 g/mol. Its IUPAC name is (2R)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclopentylamino)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide.
| Compound Name | (2R)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclopentylamino)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide |
|---|---|
| PubChem CID | 159251885 |
| Molecular Formula | C180H215F5N18O11 |
| Molecular Weight | 2901.80 g/mol |
| Exact Mass | 2899.67 |
| IUPAC Name | (2R)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclopentylamino)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide |
| SMILES | CCc1ccc(NC(=O)C2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCC3)cc2)cc1N1CCCC1.CCc1ccc(NC(=O)C2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCCC3)cc2)cc1N1CCCC1.Cc1ccc(NC(=O)C2CCCN(C(=O)c3c(C)cccc3F)C2c2ccc(NC3CCCC3)cc2)cc1OC(C)C.Cc1ccc(NC(=O)C2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCCC3)cc2)cc1N1CCCC1.Cc1cccc(F)c1C(=O)N1CCCC(C(=O)Nc2ccc3c(c2)CCC3)[C@@H]1c1ccc(NC2CCCC2)cc1 |
| InChI | InChI=1S/C38H47FN4O2.C37H45FN4O2.C36H43FN4O2.C35H42FN3O3.C34H38FN3O2/c1-3-27-16-21-31(25-34(27)42-22-7-8-23-42)41-37(44)32-14-10-24-43(38(45)35-26(2)11-9-15-33(35)39)36(32)28-17-19-30(20-18-28)40-29-12-5-4-6-13-29;1-25-15-18-30(24-33(25)41-21-6-7-22-41)40-36(43)31-13-9-23-42(37(44)34-26(2)10-8-14-32(34)38)35(31)27-16-19-29(20-17-27)39-28-11-4-3-5-12-28;1-3-25-14-19-29(23-32(25)40-20-4-5-21-40)39-35(42)30-12-8-22-41(36(43)33-24(2)9-6-13-31(33)37)34(30)26-15-17-28(18-16-26)38-27-10-7-11-27;1-22(2)42-31-21-28(17-14-23(31)3)38-34(40)29-12-8-20-39(35(41)32-24(4)9-7-13-30(32)36)33(29)25-15-18-27(19-16-25)37-26-10-5-6-11-26;1-22-7-4-13-30(35)31(22)34(40)38-20-6-12-29(33(39)37-28-19-14-23-8-5-9-25(23)21-28)32(38)24-15-17-27(18-16-24)36-26-10-2-3-11-26/h9,11,15-21,25,29,32,36,40H,3-8,10,12-14,22-24H2,1-2H3,(H,41,44);8,10,14-20,24,28,31,35,39H,3-7,9,11-13,21-23H2,1-2H3,(H,40,43);6,9,13-19,23,27,30,34,38H,3-5,7-8,10-12,20-22H2,1-2H3,(H,39,42);7,9,13-19,21-22,26,29,33,37H,5-6,8,10-12,20H2,1-4H3,(H,38,40);4,7,13-19,21,26,29,32,36H,2-3,5-6,8-12,20H2,1H3,(H,37,39)/t32?,36-;31?,35-;30?,34-;;29?,32-/m000.0/s1 |
| InChIKey | KVJZOXXOWPJSNP-CMXOMCINSA-N |
| XLogP | 38.81 |
| TPSA | 326.15 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 214 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2901.80 |
| LogP ≤ 5 | 38.81 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 19 |