(5S)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one

C23H28N2O5 — CID 14368960

IUPAC(5S)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(OC)cc4)CC3)OC2=O)cc1
InChIInChI=1S/C23H28N2O5/c1-28-19-7-3-17(4-8-19)23(27)11-13-24(14-12-23)15-21-16-25(22(26)30-21)18-5-9-20(29-2)10-6-18/h3-10,21,27H,11-16H2,1-2H3/t21-/m0/s1
InChIKeyZKEWZMRKTNFBNN-NRFANRHFSA-N
MW412.49 g/mol
LogP3.01
Rot. Bonds6

About (5S)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one

(5S)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 14368960) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is (5S)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID14368960
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name(5S)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(OC)cc4)CC3)OC2=O)cc1
InChIInChI=1S/C23H28N2O5/c1-28-19-7-3-17(4-8-19)23(27)11-13-24(14-12-23)15-21-16-25(22(26)30-21)18-5-9-20(29-2)10-6-18/h3-10,21,27H,11-16H2,1-2H3/t21-/m0/s1
InChIKeyZKEWZMRKTNFBNN-NRFANRHFSA-N
XLogP3.01
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 14368960) is (5S)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(OC)cc4)CC3)OC2=O)cc1.
What is the InChIKey of (5S)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is ZKEWZMRKTNFBNN-NRFANRHFSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-28-19-7-3-17(4-8-19)23(27)11-13-24(14-12-23)15-21-16-25(22(26)30-21)18-5-9-20(29-2)10-6-18/h3-10,21,27H,11-16H2,1-2H3/t21-/m0/s1.
What are the key properties of (5S)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
(5S)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 412.49 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 14368960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).