C122H195FN18O10 — CID 167583768
3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-[(3-fluoro-2-pyridinyl)methyl]-1-propan-2-ylpiperidin-4-ol;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperidin-4-ol;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-propan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol (PubChem CID 167583768) has the molecular formula C122H195FN18O10 and a molecular weight of 2093.02 g/mol. Its IUPAC name is 3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-[(3-fluoro-2-pyridinyl)methyl]-1-propan-2-ylpiperidin-4-ol;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperidin-4-ol;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-propan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol.
| Compound Name | 3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-[(3-fluoro-2-pyridinyl)methyl]-1-propan-2-ylpiperidin-4-ol;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperidin-4-ol;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-propan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol |
|---|---|
| PubChem CID | 167583768 |
| Molecular Formula | C122H195FN18O10 |
| Molecular Weight | 2093.02 g/mol |
| Exact Mass | 2091.53 |
| IUPAC Name | 3-amino-4-hydroxy-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-4-methyl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]pentan-2-one;3-amino-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;4-[(3-fluoro-2-pyridinyl)methyl]-1-propan-2-ylpiperidin-4-ol;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperidin-4-ol;4-morpholin-4-yl-1-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butan-2-one;1-propan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol |
| SMILES | CC(C)C(N)C(=O)CC1(Cc2ccccn2)CCN(C(C)C)CC1.CC(C)N1CCC(CC(=O)CCN2CCOCC2)(Cc2ccccn2)CC1.CC(C)N1CCC(O)(Cc2cccnc2)CC1.CC(C)N1CCC(O)(Cc2ncccc2F)CC1.CC(N)C(=O)CC1(Cc2ccccn2)CCN(C(C)C)CC1.CC(O)C(N)C(=O)CC1(Cc2ccccn2)CCN(C(C)C)CC1.COc1ccc(CC2(O)CCN(C(C)C)CC2)cn1 |
| InChI | InChI=1S/C22H35N3O2.C20H33N3O.C19H31N3O2.C18H29N3O.C15H24N2O2.C14H21FN2O.C14H22N2O/c1-19(2)25-11-7-22(8-12-25,17-20-5-3-4-9-23-20)18-21(26)6-10-24-13-15-27-16-14-24;1-15(2)19(21)18(24)14-20(13-17-7-5-6-10-22-17)8-11-23(12-9-20)16(3)4;1-14(2)22-10-7-19(8-11-22,12-16-6-4-5-9-21-16)13-17(24)18(20)15(3)23;1-14(2)21-10-7-18(8-11-21,13-17(22)15(3)19)12-16-6-4-5-9-20-16;1-12(2)17-8-6-15(18,7-9-17)10-13-4-5-14(19-3)16-11-13;1-11(2)17-8-5-14(18,6-9-17)10-13-12(15)4-3-7-16-13;1-12(2)16-8-5-14(17,6-9-16)10-13-4-3-7-15-11-13/h3-5,9,19H,6-8,10-18H2,1-2H3;5-7,10,15-16,19H,8-9,11-14,21H2,1-4H3;4-6,9,14-15,18,23H,7-8,10-13,20H2,1-3H3;4-6,9,14-15H,7-8,10-13,19H2,1-3H3;4-5,11-12,18H,6-10H2,1-3H3;3-4,7,11,18H,5-6,8-10H2,1-2H3;3-4,7,11-12,17H,5-6,8-10H2,1-2H3 |
| InChIKey | HNEDIMKUWCSBQQ-UHFFFAOYSA-N |
| XLogP | 15.78 |
| TPSA | 361.87 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 151 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2093.02 |
| LogP ≤ 5 | 15.78 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 28 |