(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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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
CID 118217160
1-[(3-chloro-4-methylphenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
CID 118217166
(4Z,10aS)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,6,8,9,10,10a-hexahydropyrrolo[1,2-a][1,4]diazocin-1-one
CID 53356608
(3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 7357524
N-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 136580152
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 7305351
2-[3-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoazepan-1-yl]acetic acid
CID 167750028
1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
CID 118217179
4-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-2-[(4-fluorophenyl)methyl]oxazinan-3-one
CID 129050611
1-[(3,4-difluorophenyl)methyl]-3-[3-(4-methoxyphenyl)azetidin-1-yl]pyrrolidin-2-one
CID 118217170
1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 17118443
(2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine
CID 32676827

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).