C86H181N17O9 — CID 167595298
2-hydroxy-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;2-hydroxy-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;[4-(2-methylpropyl)morpholin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)piperazin-2-yl]methanol;[(2S)-1-(2-methylpropyl)piperazin-2-yl]methanol;(2S)-1-(2-methylpropyl)pyrrolidin-2-amine;(2R)-1-(2-methylpropyl)pyrrolidin-2-amine;N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 167595298) has the molecular formula C86H181N17O9 and a molecular weight of 1597.50 g/mol. Its IUPAC name is 2-hydroxy-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;2-hydroxy-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;[4-(2-methylpropyl)morpholin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)piperazin-2-yl]methanol;[(2S)-1-(2-methylpropyl)piperazin-2-yl]methanol;(2S)-1-(2-methylpropyl)pyrrolidin-2-amine;(2R)-1-(2-methylpropyl)pyrrolidin-2-amine;N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]cyclopropanecarboxamide.
| Compound Name | 2-hydroxy-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;2-hydroxy-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;[4-(2-methylpropyl)morpholin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)piperazin-2-yl]methanol;[(2S)-1-(2-methylpropyl)piperazin-2-yl]methanol;(2S)-1-(2-methylpropyl)pyrrolidin-2-amine;(2R)-1-(2-methylpropyl)pyrrolidin-2-amine;N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]cyclopropanecarboxamide |
|---|---|
| PubChem CID | 167595298 |
| Molecular Formula | C86H181N17O9 |
| Molecular Weight | 1597.50 g/mol |
| Exact Mass | 1596.42 |
| IUPAC Name | 2-hydroxy-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;2-hydroxy-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;[4-(2-methylpropyl)morpholin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)piperazin-2-yl]methanol;[(2S)-1-(2-methylpropyl)piperazin-2-yl]methanol;(2S)-1-(2-methylpropyl)pyrrolidin-2-amine;(2R)-1-(2-methylpropyl)pyrrolidin-2-amine;N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]cyclopropanecarboxamide |
| SMILES | CC(C)CN1CCC(NC(=O)CO)CC1.CC(C)CN1CCC[C@@H]1N.CC(C)CN1CCC[C@H]1N.CC(C)CN1CCNC[C@@H]1CO.CC(C)CN1CCNC[C@H]1CO.CC(C)CN1CCOC(CN)C1.CC(C)CN1CC[C@@H](NC(=O)C2CC2)C1.CC(C)CN1CC[C@@H](NC(=O)CO)C1.COC1CCN(CC(C)C)CC1 |
| InChI | InChI=1S/C12H22N2O.C11H22N2O2.C10H20N2O2.C10H21NO.3C9H20N2O.2C8H18N2/c1-9(2)7-14-6-5-11(8-14)13-12(15)10-3-4-10;1-9(2)7-13-5-3-10(4-6-13)12-11(15)8-14;1-8(2)5-12-4-3-9(6-12)11-10(14)7-13;1-9(2)8-11-6-4-10(12-3)5-7-11;1-8(2)6-11-3-4-12-9(5-10)7-11;2*1-8(2)6-11-4-3-10-5-9(11)7-12;2*1-7(2)6-10-5-3-4-8(10)9/h9-11H,3-8H2,1-2H3,(H,13,15);9-10,14H,3-8H2,1-2H3,(H,12,15);8-9,13H,3-7H2,1-2H3,(H,11,14);9-10H,4-8H2,1-3H3;8-9H,3-7,10H2,1-2H3;2*8-10,12H,3-7H2,1-2H3;2*7-8H,3-6,9H2,1-2H3/t11-;;9-;;;2*9-;2*8-/m1.1..1010/s1 |
| InChIKey | IZEFIJLRWDEWSV-MBJBEPOESA-N |
| XLogP | 5.20 |
| TPSA | 317.96 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 112 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1597.50 |
| LogP ≤ 5 | 5.20 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 23 |