C153H239N27O9 — CID 157255547
5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine (PubChem CID 157255547) has the molecular formula C153H239N27O9 and a molecular weight of 2600.77 g/mol. Its IUPAC name is 5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine.
| Compound Name | 5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine |
|---|---|
| PubChem CID | 157255547 |
| Molecular Formula | C153H239N27O9 |
| Molecular Weight | 2600.77 g/mol |
| Exact Mass | 2598.91 |
| IUPAC Name | 5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine |
| SMILES | CC(C)c1ccc(N2CCC(N3CCOCC3)CC2)cn1.CC(C)c1ccc(N2CCCC(C3(O)CN(C)C3)C2)cn1.CC(C)c1ccc(N2CCCC(N3CCOCC3)C2)cn1.CC(C)c1ccc(N2CCC[C@@H](C3(O)CN(C)C3)C2)cn1.CC(C)c1ccc(N2CCC[C@@H](N3CCOCC3)C2)cn1.CC(C)c1ccc(N2CCC[C@H](C3(O)CN(C)C3)C2)cn1.CC(C)c1ccc(N2CCC[C@H](N3CCOCC3)C2)cn1.CC(C)c1cccc(N2CC(CN3CCC3)CCC2=O)n1.CC(C)c1cccc(N2C[C@H](CN3CCC3)CCC2=O)n1 |
| InChI | InChI=1S/3C17H27N3O.2C17H25N3O.4C17H27N3O/c3*1-13(2)16-7-6-15(9-18-16)20-8-4-5-14(10-20)17(21)11-19(3)12-17;2*1-13(2)15-5-3-6-16(18-15)20-12-14(7-8-17(20)21)11-19-9-4-10-19;1-14(2)17-4-3-16(13-18-17)19-7-5-15(6-8-19)20-9-11-21-12-10-20;3*1-14(2)17-6-5-15(12-18-17)20-7-3-4-16(13-20)19-8-10-21-11-9-19/h3*6-7,9,13-14,21H,4-5,8,10-12H2,1-3H3;2*3,5-6,13-14H,4,7-12H2,1-2H3;3-4,13-15H,5-12H2,1-2H3;3*5-6,12,14,16H,3-4,7-11,13H2,1-2H3/t2*14-;;14-;;;2*16-;/m10.0..10./s1 |
| InChIKey | AWVTTYSYTVMPIZ-FSAYXYOLSA-N |
| XLogP | 21.63 |
| TPSA | 306.08 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 189 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2600.77 |
| LogP ≤ 5 | 21.63 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 34 |