5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one

C23H24FN3O2 — CID 18416544

IUPAC5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)CN1c1ccccc1
InChIInChI=1S/C23H24FN3O2/c24-17-6-7-20-21(13-25-22(20)12-17)16-8-10-26(11-9-16)14-19-15-27(23(28)29-19)18-4-2-1-3-5-18/h1-7,12-13,16,19,25H,8-11,14-15H2
InChIKeyDVEUQWXLDRSQRS-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.51
Rot. Bonds4

About 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one

5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 18416544) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID18416544
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)CN1c1ccccc1
InChIInChI=1S/C23H24FN3O2/c24-17-6-7-20-21(13-25-22(20)12-17)16-8-10-26(11-9-16)14-19-15-27(23(28)29-19)18-4-2-1-3-5-18/h1-7,12-13,16,19,25H,8-11,14-15H2
InChIKeyDVEUQWXLDRSQRS-UHFFFAOYSA-N
XLogP4.51
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one (CID 18416544) is 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one is O=C1OC(CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)CN1c1ccccc1.
What is the InChIKey of 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is DVEUQWXLDRSQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-17-6-7-20-21(13-25-22(20)12-17)16-8-10-26(11-9-16)14-19-15-27(23(28)29-19)18-4-2-1-3-5-18/h1-7,12-13,16,19,25H,8-11,14-15H2.
What are the key properties of 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 393.46 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 18416544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).