5-[(2-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one

C22H25FN2O2 — CID 14368948

IUPAC5-[(2-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCCCC2Cc2ccccc2)CN1c1ccc(F)cc1
InChIInChI=1S/C22H25FN2O2/c23-18-9-11-19(12-10-18)25-16-21(27-22(25)26)15-24-13-5-4-8-20(24)14-17-6-2-1-3-7-17/h1-3,6-7,9-12,20-21H,4-5,8,13-16H2
InChIKeyWJCLRWYXBWJGMA-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.25
Rot. Bonds5

About 5-[(2-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one

5-[(2-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 14368948) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 5-[(2-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(2-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID14368948
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name5-[(2-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCCCC2Cc2ccccc2)CN1c1ccc(F)cc1
InChIInChI=1S/C22H25FN2O2/c23-18-9-11-19(12-10-18)25-16-21(27-22(25)26)15-24-13-5-4-8-20(24)14-17-6-2-1-3-7-17/h1-3,6-7,9-12,20-21H,4-5,8,13-16H2
InChIKeyWJCLRWYXBWJGMA-UHFFFAOYSA-N
XLogP4.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(2-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one (CID 14368948) is 5-[(2-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(2-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(2-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one is O=C1OC(CN2CCCCC2Cc2ccccc2)CN1c1ccc(F)cc1.
What is the InChIKey of 5-[(2-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is WJCLRWYXBWJGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-18-9-11-19(12-10-18)25-16-21(27-22(25)26)15-24-13-5-4-8-20(24)14-17-6-2-1-3-7-17/h1-3,6-7,9-12,20-21H,4-5,8,13-16H2.
What are the key properties of 5-[(2-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
5-[(2-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 368.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 14368948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).