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

C18H23FN2O4 — CID 42240062

IUPAC3-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCC(CO)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H23FN2O4/c19-15-3-1-2-14(10-15)11-18(13-22)4-6-20(7-5-18)16(23)12-21-8-9-25-17(21)24/h1-3,10,22H,4-9,11-13H2
InChIKeyUDHLRRYIVJYZFN-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.42
Rot. Bonds5

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

3-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 42240062) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is 3-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID42240062
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name3-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCC(CO)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H23FN2O4/c19-15-3-1-2-14(10-15)11-18(13-22)4-6-20(7-5-18)16(23)12-21-8-9-25-17(21)24/h1-3,10,22H,4-9,11-13H2
InChIKeyUDHLRRYIVJYZFN-UHFFFAOYSA-N
XLogP1.42
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 42240062) is 3-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CCC(CO)(Cc2cccc(F)c2)CC1.
What is the InChIKey of 3-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is UDHLRRYIVJYZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4/c19-15-3-1-2-14(10-15)11-18(13-22)4-6-20(7-5-18)16(23)12-21-8-9-25-17(21)24/h1-3,10,22H,4-9,11-13H2.
What are the key properties of 3-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 350.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 42240062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).