About (4R)-4-(3-chlorophenyl)-3-[1-[[6-(4-methoxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
(4R)-4-(3-chlorophenyl)-3-[1-[[6-(4-methoxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 58835105) has the molecular formula C28H30ClN3O4
and a molecular weight of 508.02 g/mol. Its IUPAC name is (4R)-4-(3-chlorophenyl)-3-[1-[[6-(4-methoxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
Molecular Properties
| Compound Name | (4R)-4-(3-chlorophenyl)-3-[1-[[6-(4-methoxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one |
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| PubChem CID | 58835105 |
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| Molecular Formula | C28H30ClN3O4 |
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| Molecular Weight | 508.02 g/mol |
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| Exact Mass | 507.19 |
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| IUPAC Name | (4R)-4-(3-chlorophenyl)-3-[1-[[6-(4-methoxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one |
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| SMILES | COc1ccc(Oc2ccc(CN3CCC(N4C(=O)OC[C@H]4c4cccc(Cl)c4)CC3)c(C)n2)cc1 |
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| InChI | InChI=1S/C28H30ClN3O4/c1-19-21(6-11-27(30-19)36-25-9-7-24(34-2)8-10-25)17-31-14-12-23(13-15-31)32-26(18-35-28(32)33)20-4-3-5-22(29)16-20/h3-11,16,23,26H,12-15,17-18H2,1-2H3/t26-/m0/s1 |
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| InChIKey | FHNRRDRYUSXDPJ-SANMLTNESA-N |
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| XLogP | 6.00 |
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| TPSA | 64.13 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 508.02 |
| LogP ≤ 5 | 6.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of (4R)-4-(3-chlorophenyl)-3-[1-[[6-(4-methoxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(3-chlorophenyl)-3-[1-[[6-(4-methoxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 58835105) is (4R)-4-(3-chlorophenyl)-3-[1-[[6-(4-methoxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(3-chlorophenyl)-3-[1-[[6-(4-methoxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(3-chlorophenyl)-3-[1-[[6-(4-methoxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is COc1ccc(Oc2ccc(CN3CCC(N4C(=O)OC[C@H]4c4cccc(Cl)c4)CC3)c(C)n2)cc1.
What is the InChIKey of (4R)-4-(3-chlorophenyl)-3-[1-[[6-(4-methoxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is FHNRRDRYUSXDPJ-SANMLTNESA-N. The full InChI is InChI=1S/C28H30ClN3O4/c1-19-21(6-11-27(30-19)36-25-9-7-24(34-2)8-10-25)17-31-14-12-23(13-15-31)32-26(18-35-28(32)33)20-4-3-5-22(29)16-20/h3-11,16,23,26H,12-15,17-18H2,1-2H3/t26-/m0/s1.
What are the key properties of (4R)-4-(3-chlorophenyl)-3-[1-[[6-(4-methoxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
(4R)-4-(3-chlorophenyl)-3-[1-[[6-(4-methoxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 508.02 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-chlorophenyl)-3-[1-[[6-(4-methoxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58835105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).