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

C22H23FN2O4 — CID 15158332

IUPAC5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCC(c3ccc4c(c3)OCO4)CC2)CN1c1ccc(F)cc1
InChIInChI=1S/C22H23FN2O4/c23-17-2-4-18(5-3-17)25-13-19(29-22(25)26)12-24-9-7-15(8-10-24)16-1-6-20-21(11-16)28-14-27-20/h1-6,11,15,19H,7-10,12-14H2
InChIKeyMEOWKJARDIGJEV-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.76
Rot. Bonds4

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

5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 15158332) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is 5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID15158332
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCC(c3ccc4c(c3)OCO4)CC2)CN1c1ccc(F)cc1
InChIInChI=1S/C22H23FN2O4/c23-17-2-4-18(5-3-17)25-13-19(29-22(25)26)12-24-9-7-15(8-10-24)16-1-6-20-21(11-16)28-14-27-20/h1-6,11,15,19H,7-10,12-14H2
InChIKeyMEOWKJARDIGJEV-UHFFFAOYSA-N
XLogP3.76
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-[2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one
CID 15158346
5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one
CID 19746121
4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
CID 18416538
[4-[(5S)-5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl] acetate
CID 15034740
(5S)-5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 66694734
[4-(1,3-benzodioxol-5-yl)-1-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] acetate
CID 19746138
5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 51000280
N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide
CID 67694725
(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-3-ol
CID 56713649
N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide
CID 54341034
(5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 158131550
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one (CID 15158332) is 5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one is O=C1OC(CN2CCC(c3ccc4c(c3)OCO4)CC2)CN1c1ccc(F)cc1.
What is the InChIKey of 5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is MEOWKJARDIGJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c23-17-2-4-18(5-3-17)25-13-19(29-22(25)26)12-24-9-7-15(8-10-24)16-1-6-20-21(11-16)28-14-27-20/h1-6,11,15,19H,7-10,12-14H2.
What are the key properties of 5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 398.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 15158332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).