Bis(2-[(4-chlorophenyl)methyl]-4-[(3S)-3-fluoro-4-(4-methylphenyl)piperidin-1-yl]oxazinan-3-one);bis(4-[3-fluoro-4-(3-fluoro-4-methylphenyl)piperidin-1-yl]-2-[(4-methylphenyl)methyl]oxazinan-3-one);4-[(3R,4R)-3-fluoro-4-(4-methylphenyl)piperidin-1-yl]-2-[(4-methylphenyl)methyl]oxazinan-3-one;bis(2-[(4-methylphenyl)methyl]-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]oxazinan-3-one);bis(2-[(4-methylphenyl)methyl]-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,2-oxazolidin-3-one);bis(2-[(4-methylphenyl)methyl]-4-[4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1,2-oxazolidin-3-one)
C248H299Cl2F7N32O22 — CID 159062958
Data last refreshed: (MolForge compound catalog, from PubChem)
About Bis(2-[(4-chlorophenyl)methyl]-4-[(3S)-3-fluoro-4-(4-methylphenyl)piperidin-1-yl]oxazinan-3-one);bis(4-[3-fluoro-4-(3-fluoro-4-methylphenyl)piperidin-1-yl]-2-[(4-methylphenyl)methyl]oxazinan-3-one);4-[(3R,4R)-3-fluoro-4-(4-methylphenyl)piperidin-1-yl]-2-[(4-methylphenyl)methyl]oxazinan-3-one;bis(2-[(4-methylphenyl)methyl]-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]oxazinan-3-one);bis(2-[(4-methylphenyl)methyl]-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,2-oxazolidin-3-one);bis(2-[(4-methylphenyl)methyl]-4-[4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1,2-oxazolidin-3-one)
Bis(2-[(4-chlorophenyl)methyl]-4-[(3S)-3-fluoro-4-(4-methylphenyl)piperidin-1-yl]oxazinan-3-one);bis(4-[3-fluoro-4-(3-fluoro-4-methylphenyl)piperidin-1-yl]-2-[(4-methylphenyl)methyl]oxazinan-3-one);4-[(3R,4R)-3-fluoro-4-(4-methylphenyl)piperidin-1-yl]-2-[(4-methylphenyl)methyl]oxazinan-3-one;bis(2-[(4-methylphenyl)methyl]-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]oxazinan-3-one);bis(2-[(4-methylphenyl)methyl]-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,2-oxazolidin-3-one);bis(2-[(4-methylphenyl)methyl]-4-[4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1,2-oxazolidin-3-one) (PubChem CID 159062958) has the molecular formula C248H299Cl2F7N32O22 and a molecular weight of 4284.21 g/mol. Its IUPAC name is bis(2-[(4-chlorophenyl)methyl]-4-[(3S)-3-fluoro-4-(4-methylphenyl)piperidin-1-yl]oxazinan-3-one);bis(4-[3-fluoro-4-(3-fluoro-4-methylphenyl)piperidin-1-yl]-2-[(4-methylphenyl)methyl]oxazinan-3-one);4-[(3R,4R)-3-fluoro-4-(4-methylphenyl)piperidin-1-yl]-2-[(4-methylphenyl)methyl]oxazinan-3-one;bis(2-[(4-methylphenyl)methyl]-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]oxazinan-3-one);bis(2-[(4-methylphenyl)methyl]-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,2-oxazolidin-3-one);bis(2-[(4-methylphenyl)methyl]-4-[4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1,2-oxazolidin-3-one).
Molecular Properties
| Compound Name | Bis(2-[(4-chlorophenyl)methyl]-4-[(3S)-3-fluoro-4-(4-methylphenyl)piperidin-1-yl]oxazinan-3-one);bis(4-[3-fluoro-4-(3-fluoro-4-methylphenyl)piperidin-1-yl]-2-[(4-methylphenyl)methyl]oxazinan-3-one);4-[(3R,4R)-3-fluoro-4-(4-methylphenyl)piperidin-1-yl]-2-[(4-methylphenyl)methyl]oxazinan-3-one;bis(2-[(4-methylphenyl)methyl]-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]oxazinan-3-one);bis(2-[(4-methylphenyl)methyl]-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,2-oxazolidin-3-one);bis(2-[(4-methylphenyl)methyl]-4-[4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1,2-oxazolidin-3-one) |
|---|---|
| PubChem CID | 159062958 |
| Molecular Formula | C248H299Cl2F7N32O22 |
| Molecular Weight | 4284.21 g/mol |
| Exact Mass | 4280.25 |
| IUPAC Name | bis(2-[(4-chlorophenyl)methyl]-4-[(3S)-3-fluoro-4-(4-methylphenyl)piperidin-1-yl]oxazinan-3-one);bis(4-[3-fluoro-4-(3-fluoro-4-methylphenyl)piperidin-1-yl]-2-[(4-methylphenyl)methyl]oxazinan-3-one);4-[(3R,4R)-3-fluoro-4-(4-methylphenyl)piperidin-1-yl]-2-[(4-methylphenyl)methyl]oxazinan-3-one;bis(2-[(4-methylphenyl)methyl]-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]oxazinan-3-one);bis(2-[(4-methylphenyl)methyl]-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,2-oxazolidin-3-one);bis(2-[(4-methylphenyl)methyl]-4-[4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1,2-oxazolidin-3-one) |
| SMILES | Cc1ccc(C2CCN(C3CCON(Cc4ccc(Cl)cc4)C3=O)C[C@H]2F)cc1.Cc1ccc(C2CCN(C3CCON(Cc4ccc(Cl)cc4)C3=O)C[C@H]2F)cc1.Cc1ccc(CN2OCC(N3CCC(c4ccc(C)cn4)CC3)C2=O)cc1.Cc1ccc(CN2OCC(N3CCC(c4ccc(C)cn4)CC3)C2=O)cc1.Cc1ccc(CN2OCC(N3CCN(c4ccc(C)cn4)CC3)C2=O)cc1.Cc1ccc(CN2OCC(N3CCN(c4ccc(C)cn4)CC3)C2=O)cc1.Cc1ccc(CN2OCCC(N3CCC(c4ccc(C)c(F)c4)C(F)C3)C2=O)cc1.Cc1ccc(CN2OCCC(N3CCC(c4ccc(C)c(F)c4)C(F)C3)C2=O)cc1.Cc1ccc(CN2OCCC(N3CCN(c4ccc(C)cn4)CC3)C2=O)cc1.Cc1ccc(CN2OCCC(N3CCN(c4ccc(C)cn4)CC3)C2=O)cc1.Cc1ccc(CN2OCCC(N3CC[C@H](c4ccc(C)cc4)[C@@H](F)C3)C2=O)cc1 |
| InChI | InChI=1S/2C24H28F2N2O2.C24H29FN2O2.2C23H26ClFN2O2.2C22H28N4O2.2C22H27N3O2.2C21H26N4O2/c2*1-16-3-6-18(7-4-16)14-28-24(29)23(10-12-30-28)27-11-9-20(22(26)15-27)19-8-5-17(2)21(25)13-19;1-17-3-7-19(8-4-17)15-27-24(28)23(12-14-29-27)26-13-11-21(22(25)16-26)20-9-5-18(2)6-10-20;2*1-16-2-6-18(7-3-16)20-10-12-26(15-21(20)25)22-11-13-29-27(23(22)28)14-17-4-8-19(24)9-5-17;2*1-17-3-6-19(7-4-17)16-26-22(27)20(9-14-28-26)24-10-12-25(13-11-24)21-8-5-18(2)15-23-21;2*1-16-3-6-18(7-4-16)14-25-22(26)21(15-27-25)24-11-9-19(10-12-24)20-8-5-17(2)13-23-20;2*1-16-3-6-18(7-4-16)14-25-21(26)19(15-27-25)23-9-11-24(12-10-23)20-8-5-17(2)13-22-20/h2*3-8,13,20,22-23H,9-12,14-15H2,1-2H3;3-10,21-23H,11-16H2,1-2H3;2*2-9,20-22H,10-15H2,1H3;2*3-8,15,20H,9-14,16H2,1-2H3;2*3-8,13,19,21H,9-12,14-15H2,1-2H3;2*3-8,13,19H,9-12,14-15H2,1-2H3/t;;21-,22+,23?;2*20?,21-,22?;;;;;;/m..111....../s1 |
| InChIKey | JYRXRAFJXYVLPG-VSKWBXIRSA-N |
| XLogP | 37.66 |
| TPSA | 450.88 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 311 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4284.21 |
| LogP ≤ 5 | 37.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 43 |
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Sources
- PubChem CID 159062958 — identifiers, structure, computed properties (public domain)
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