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

C24H30N2O6 — CID 67904464

IUPAC3-(3,4-dimethoxyphenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2(O)CCN(CC3CN(c4ccc(OC)c(OC)c4)C(=O)O3)CC2)cc1
InChIInChI=1S/C24H30N2O6/c1-29-19-7-4-17(5-8-19)24(28)10-12-25(13-11-24)15-20-16-26(23(27)32-20)18-6-9-21(30-2)22(14-18)31-3/h4-9,14,20,28H,10-13,15-16H2,1-3H3
InChIKeyRVWFYPCKCDXSIV-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.02
Rot. Bonds7

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

3-(3,4-dimethoxyphenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 67904464) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID67904464
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Name3-(3,4-dimethoxyphenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2(O)CCN(CC3CN(c4ccc(OC)c(OC)c4)C(=O)O3)CC2)cc1
InChIInChI=1S/C24H30N2O6/c1-29-19-7-4-17(5-8-19)24(28)10-12-25(13-11-24)15-20-16-26(23(27)32-20)18-6-9-21(30-2)22(14-18)31-3/h4-9,14,20,28H,10-13,15-16H2,1-3H3
InChIKeyRVWFYPCKCDXSIV-UHFFFAOYSA-N
XLogP3.02
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-chlorophenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 14368962
(5S)-5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 66694734
5-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 67940423
5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one
CID 22157473
[4-[(5S)-5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl] acetate
CID 15034740
5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one
CID 19746121
[4-(1,3-benzodioxol-5-yl)-1-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] acetate
CID 19746138
5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 67940442
3-(3,4-dimethoxyphenyl)-5-[[4-(2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 22157512
(5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 150982931
3-(4-chlorophenyl)-5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 67940330
5-[[(3S)-3-hydroxy-3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]pyrrolidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 45274474

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one (CID 67904464) is 3-(3,4-dimethoxyphenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one is COc1ccc(C2(O)CCN(CC3CN(c4ccc(OC)c(OC)c4)C(=O)O3)CC2)cc1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is RVWFYPCKCDXSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-29-19-7-4-17(5-8-19)24(28)10-12-25(13-11-24)15-20-16-26(23(27)32-20)18-6-9-21(30-2)22(14-18)31-3/h4-9,14,20,28H,10-13,15-16H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
3-(3,4-dimethoxyphenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 442.51 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67904464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).