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

C22H26N2O4 — CID 22157473

IUPAC5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccccc1N1CC(CN2CCC(O)(c3ccccc3)CC2)OC1=O
InChIInChI=1S/C22H26N2O4/c1-27-20-10-6-5-9-19(20)24-16-18(28-21(24)25)15-23-13-11-22(26,12-14-23)17-7-3-2-4-8-17/h2-10,18,26H,11-16H2,1H3
InChIKeyCLDJRHRCYVPOSH-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.00
Rot. Bonds5

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

5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 22157473) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID22157473
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccccc1N1CC(CN2CCC(O)(c3ccccc3)CC2)OC1=O
InChIInChI=1S/C22H26N2O4/c1-27-20-10-6-5-9-19(20)24-16-18(28-21(24)25)15-23-13-11-22(26,12-14-23)17-7-3-2-4-8-17/h2-10,18,26H,11-16H2,1H3
InChIKeyCLDJRHRCYVPOSH-UHFFFAOYSA-N
XLogP3.00
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one (CID 22157473) is 5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one is COc1ccccc1N1CC(CN2CCC(O)(c3ccccc3)CC2)OC1=O.
What is the InChIKey of 5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is CLDJRHRCYVPOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-20-10-6-5-9-19(20)24-16-18(28-21(24)25)15-23-13-11-22(26,12-14-23)17-7-3-2-4-8-17/h2-10,18,26H,11-16H2,1H3.
What are the key properties of 5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one?
5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 382.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22157473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).