C172H190Cl3F9N22O17 — CID 158659006
N-[3,3-bis(4-fluorophenyl)propyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide;2-(4-phenylphenyl)-N-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]ethanamine (PubChem CID 158659006) has the molecular formula C172H190Cl3F9N22O17 and a molecular weight of 3114.89 g/mol. Its IUPAC name is N-[3,3-bis(4-fluorophenyl)propyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide;2-(4-phenylphenyl)-N-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]ethanamine.
| Compound Name | N-[3,3-bis(4-fluorophenyl)propyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide;2-(4-phenylphenyl)-N-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]ethanamine |
|---|---|
| PubChem CID | 158659006 |
| Molecular Formula | C172H190Cl3F9N22O17 |
| Molecular Weight | 3114.89 g/mol |
| Exact Mass | 3111.36 |
| IUPAC Name | N-[3,3-bis(4-fluorophenyl)propyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide;2-(4-phenylphenyl)-N-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]ethanamine |
| SMILES | COc1ccc(CC2CCN(C(=O)NCc3ccc(C(F)(F)F)nc3)C2)cc1.COc1ccc(CC2CCN(C(=O)NCc3cccc(OC(F)(F)F)c3)C2)cc1.COc1ccc(CCNC(=O)N2CCC(Cc3ccc(OC)cc3)C2)cc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCC(Oc2ccncc2)CC1.O=C(NCc1ccc(Cl)cc1Cl)N1CCC(Oc2ccncc2)CC1.O=C(NCc1ccc(F)cc1Cl)N1CCC(Oc2ccncc2)CC1.O=C(NCc1cccc2ccccc12)N1CCC(Oc2ccncc2)CC1.c1ccc(-c2ccc(CCNCN3CCC(Oc4ccncc4)CC3)cc2)cc1 |
| InChI | InChI=1S/C26H27F2N3O2.C25H29N3O.C22H23N3O2.C22H28N2O3.C21H23F3N2O3.C20H22F3N3O2.C18H19Cl2N3O2.C18H19ClFN3O2/c27-21-5-1-19(2-6-21)25(20-3-7-22(28)8-4-20)11-16-30-26(32)31-17-12-24(13-18-31)33-23-9-14-29-15-10-23;1-2-4-22(5-3-1)23-8-6-21(7-9-23)10-15-27-20-28-18-13-25(14-19-28)29-24-11-16-26-17-12-24;26-22(24-16-18-6-3-5-17-4-1-2-7-21(17)18)25-14-10-20(11-15-25)27-19-8-12-23-13-9-19;1-26-20-7-3-17(4-8-20)11-13-23-22(25)24-14-12-19(16-24)15-18-5-9-21(27-2)10-6-18;1-28-18-7-5-15(6-8-18)11-17-9-10-26(14-17)20(27)25-13-16-3-2-4-19(12-16)29-21(22,23)24;1-28-17-5-2-14(3-6-17)10-15-8-9-26(13-15)19(27)25-12-16-4-7-18(24-11-16)20(21,22)23;19-14-2-1-13(17(20)11-14)12-22-18(24)23-9-5-16(6-10-23)25-15-3-7-21-8-4-15;19-17-11-14(20)2-1-13(17)12-22-18(24)23-9-5-16(6-10-23)25-15-3-7-21-8-4-15/h1-10,14-15,24-25H,11-13,16-18H2,(H,30,32);1-9,11-12,16-17,25,27H,10,13-15,18-20H2;1-9,12-13,20H,10-11,14-16H2,(H,24,26);3-10,19H,11-16H2,1-2H3,(H,23,25);2-8,12,17H,9-11,13-14H2,1H3,(H,25,27);2-7,11,15H,8-10,12-13H2,1H3,(H,25,27);2*1-4,7-8,11,16H,5-6,9-10,12H2,(H,22,24) |
| InChIKey | ICNAGHQZTAHAOV-UHFFFAOYSA-N |
| XLogP | 33.04 |
| TPSA | 411.29 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 223 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3114.89 |
| LogP ≤ 5 | 33.04 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|