(4R)-2-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperidin-1-yl]-1,2-oxazolidin-3-one

C22H25FN2O3 — CID 129031169

IUPAC(4R)-2-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperidin-1-yl]-1,2-oxazolidin-3-one
SMILESCOc1ccc(C2CCN([C@@H]3CON(Cc4ccc(F)cc4)C3=O)CC2)cc1
InChIInChI=1S/C22H25FN2O3/c1-27-20-8-4-17(5-9-20)18-10-12-24(13-11-18)21-15-28-25(22(21)26)14-16-2-6-19(23)7-3-16/h2-9,18,21H,10-15H2,1H3/t21-/m1/s1
InChIKeyXFPBJWAHCIEXMF-OAQYLSRUSA-N
MW384.45 g/mol
LogP3.36
Rot. Bonds5

About (4R)-2-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperidin-1-yl]-1,2-oxazolidin-3-one

(4R)-2-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperidin-1-yl]-1,2-oxazolidin-3-one (PubChem CID 129031169) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is (4R)-2-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperidin-1-yl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name(4R)-2-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperidin-1-yl]-1,2-oxazolidin-3-one
PubChem CID129031169
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name(4R)-2-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperidin-1-yl]-1,2-oxazolidin-3-one
SMILESCOc1ccc(C2CCN([C@@H]3CON(Cc4ccc(F)cc4)C3=O)CC2)cc1
InChIInChI=1S/C22H25FN2O3/c1-27-20-8-4-17(5-9-20)18-10-12-24(13-11-18)21-15-28-25(22(21)26)14-16-2-6-19(23)7-3-16/h2-9,18,21H,10-15H2,1H3/t21-/m1/s1
InChIKeyXFPBJWAHCIEXMF-OAQYLSRUSA-N
XLogP3.36
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperidin-1-yl]-1,2-oxazolidin-3-one?
The IUPAC name of (4R)-2-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperidin-1-yl]-1,2-oxazolidin-3-one (CID 129031169) is (4R)-2-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperidin-1-yl]-1,2-oxazolidin-3-one.
What is the SMILES notation for (4R)-2-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperidin-1-yl]-1,2-oxazolidin-3-one?
The canonical SMILES for (4R)-2-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperidin-1-yl]-1,2-oxazolidin-3-one is COc1ccc(C2CCN([C@@H]3CON(Cc4ccc(F)cc4)C3=O)CC2)cc1.
What is the InChIKey of (4R)-2-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperidin-1-yl]-1,2-oxazolidin-3-one?
The InChIKey is XFPBJWAHCIEXMF-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-27-20-8-4-17(5-9-20)18-10-12-24(13-11-18)21-15-28-25(22(21)26)14-16-2-6-19(23)7-3-16/h2-9,18,21H,10-15H2,1H3/t21-/m1/s1.
What are the key properties of (4R)-2-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperidin-1-yl]-1,2-oxazolidin-3-one?
(4R)-2-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperidin-1-yl]-1,2-oxazolidin-3-one has a molecular weight of 384.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperidin-1-yl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 129031169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).