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

C22H25ClN2O4 — CID 14368962

IUPAC3-(4-chlorophenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2(O)CCN(CC3CN(c4ccc(Cl)cc4)C(=O)O3)CC2)cc1
InChIInChI=1S/C22H25ClN2O4/c1-28-19-8-2-16(3-9-19)22(27)10-12-24(13-11-22)14-20-15-25(21(26)29-20)18-6-4-17(23)5-7-18/h2-9,20,27H,10-15H2,1H3
InChIKeyTZWVSCBMHCHBKY-UHFFFAOYSA-N
MW416.91 g/mol
LogP3.66
Rot. Bonds5

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

3-(4-chlorophenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 14368962) has the molecular formula C22H25ClN2O4 and a molecular weight of 416.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID14368962
Molecular FormulaC22H25ClN2O4
Molecular Weight416.91 g/mol
Exact Mass416.15
IUPAC Name3-(4-chlorophenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2(O)CCN(CC3CN(c4ccc(Cl)cc4)C(=O)O3)CC2)cc1
InChIInChI=1S/C22H25ClN2O4/c1-28-19-8-2-16(3-9-19)22(27)10-12-24(13-11-22)14-20-15-25(21(26)29-20)18-6-4-17(23)5-7-18/h2-9,20,27H,10-15H2,1H3
InChIKeyTZWVSCBMHCHBKY-UHFFFAOYSA-N
XLogP3.66
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 67904464
(5S)-5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 66694734
3-(4-chlorophenyl)-5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 67940330
[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
5-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 67940423
[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-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one
CID 22157473
5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 67940450
5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 67940442
5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 23030047
N-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide;hydrochloride
CID 139652790

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one (CID 14368962) is 3-(4-chlorophenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one is COc1ccc(C2(O)CCN(CC3CN(c4ccc(Cl)cc4)C(=O)O3)CC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is TZWVSCBMHCHBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O4/c1-28-19-8-2-16(3-9-19)22(27)10-12-24(13-11-22)14-20-15-25(21(26)29-20)18-6-4-17(23)5-7-18/h2-9,20,27H,10-15H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
3-(4-chlorophenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 416.91 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 14368962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).