C151H187F13N16O15 — CID 173297610
N-[1-[(4-amino-3-fluorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide;N-[1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide;N-[1-(6-amino-4-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide;2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide;(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylacetamide;2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 173297610) has the molecular formula C151H187F13N16O15 and a molecular weight of 2713.23 g/mol. Its IUPAC name is N-[1-[(4-amino-3-fluorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide;N-[1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide;N-[1-(6-amino-4-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide;2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide;(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylacetamide;2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide.
| Compound Name | N-[1-[(4-amino-3-fluorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide;N-[1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide;N-[1-(6-amino-4-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide;2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide;(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylacetamide;2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide |
|---|---|
| PubChem CID | 173297610 |
| Molecular Formula | C151H187F13N16O15 |
| Molecular Weight | 2713.23 g/mol |
| Exact Mass | 2711.42 |
| IUPAC Name | N-[1-[(4-amino-3-fluorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide;N-[1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide;N-[1-(6-amino-4-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide;2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide;(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylacetamide;2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide |
| SMILES | COc1cc(N)cc(CN2CCC(NC(=O)C(O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1.COc1ccc(CN2CCC(NC(=O)C(O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1.Cc1cc(N)nc(N2CCC(NC(=O)C(O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1.Cc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)o1.Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1.Nc1ccc(CN2CCC(NC(=O)C(O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1F |
| InChI | InChI=1S/C26H33F2N3O3.C26H32F2N2O3.C26H32F2N2O2.C25H30F3N3O2.C24H30F2N4O2.C24H30F2N2O3/c1-34-23-14-18(13-21(29)15-23)17-31-11-8-22(9-12-31)30-24(32)26(33,19-5-3-2-4-6-19)20-7-10-25(27,28)16-20;1-33-23-9-7-19(8-10-23)18-30-15-12-22(13-16-30)29-24(31)26(32,20-5-3-2-4-6-20)21-11-14-25(27,28)17-21;1-19-6-5-7-20(16-19)18-30-14-11-23(12-15-30)29-24(31)26(32,21-8-3-2-4-9-21)22-10-13-25(27,28)17-22;26-21-14-17(6-7-22(21)29)16-31-12-9-20(10-13-31)30-23(32)25(33,18-4-2-1-3-5-18)19-8-11-24(27,28)15-19;1-16-13-20(27)29-21(14-16)30-11-8-19(9-12-30)28-22(31)24(32,17-5-3-2-4-6-17)18-7-10-23(25,26)15-18;1-17-7-8-21(31-17)16-28-13-10-20(11-14-28)27-22(29)24(30,18-5-3-2-4-6-18)19-9-12-23(25,26)15-19/h2-6,13-15,20,22,33H,7-12,16-17,29H2,1H3,(H,30,32);2-10,21-22,32H,11-18H2,1H3,(H,29,31);2-9,16,22-23,32H,10-15,17-18H2,1H3,(H,29,31);1-7,14,19-20,33H,8-13,15-16,29H2,(H,30,32);2-6,13-14,18-19,32H,7-12,15H2,1H3,(H2,27,29)(H,28,31);2-8,19-20,30H,9-16H2,1H3,(H,27,29)/t20-,26?;21-,26?;22-,26?;19-,25?;18-,24?;19-,24+/m111111/s1 |
| InChIKey | MWQPYAJBHRRKJN-AYVYIQGJSA-N |
| XLogP | 23.36 |
| TPSA | 437.97 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 195 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2713.23 |
| LogP ≤ 5 | 23.36 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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