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

C22H25ClN2O4 — CID 14368937

IUPAC(5S)-5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(Cl)cc4)CC3)OC2=O)cc1
InChIInChI=1S/C22H25ClN2O4/c1-28-19-8-6-18(7-9-19)25-15-20(29-21(25)26)14-24-12-10-22(27,11-13-24)16-2-4-17(23)5-3-16/h2-9,20,27H,10-15H2,1H3/t20-/m0/s1
InChIKeyWCDUODNINIBKMY-FQEVSTJZSA-N
MW416.91 g/mol
LogP3.66
Rot. Bonds5

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

(5S)-5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 14368937) has the molecular formula C22H25ClN2O4 and a molecular weight of 416.91 g/mol. Its IUPAC name is (5S)-5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID14368937
Molecular FormulaC22H25ClN2O4
Molecular Weight416.91 g/mol
Exact Mass416.15
IUPAC Name(5S)-5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(Cl)cc4)CC3)OC2=O)cc1
InChIInChI=1S/C22H25ClN2O4/c1-28-19-8-6-18(7-9-19)25-15-20(29-21(25)26)14-24-12-10-22(27,11-13-24)16-2-4-17(23)5-3-16/h2-9,20,27H,10-15H2,1H3/t20-/m0/s1
InChIKeyWCDUODNINIBKMY-FQEVSTJZSA-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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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 14368937) is (5S)-5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(Cl)cc4)CC3)OC2=O)cc1.
What is the InChIKey of (5S)-5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is WCDUODNINIBKMY-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25ClN2O4/c1-28-19-8-6-18(7-9-19)25-15-20(29-21(25)26)14-24-12-10-22(27,11-13-24)16-2-4-17(23)5-3-16/h2-9,20,27H,10-15H2,1H3/t20-/m0/s1.
What are the key properties of (5S)-5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
(5S)-5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-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 (5S)-5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 14368937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).