4-[4-(2-fluorophenoxy)piperidin-1-yl]-3H-1,3-benzothiazol-2-one

C18H17FN2O2S — CID 67275166

IUPAC4-[4-(2-fluorophenoxy)piperidin-1-yl]-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2c(N3CCC(Oc4ccccc4F)CC3)cccc2s1
InChIInChI=1S/C18H17FN2O2S/c19-13-4-1-2-6-15(13)23-12-8-10-21(11-9-12)14-5-3-7-16-17(14)20-18(22)24-16/h1-7,12H,8-11H2,(H,20,22)
InChIKeyWBKPBQGCRHSYKB-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.78
Rot. Bonds3

About 4-[4-(2-fluorophenoxy)piperidin-1-yl]-3H-1,3-benzothiazol-2-one

4-[4-(2-fluorophenoxy)piperidin-1-yl]-3H-1,3-benzothiazol-2-one (PubChem CID 67275166) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[4-(2-fluorophenoxy)piperidin-1-yl]-3H-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name4-[4-(2-fluorophenoxy)piperidin-1-yl]-3H-1,3-benzothiazol-2-one
PubChem CID67275166
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name4-[4-(2-fluorophenoxy)piperidin-1-yl]-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2c(N3CCC(Oc4ccccc4F)CC3)cccc2s1
InChIInChI=1S/C18H17FN2O2S/c19-13-4-1-2-6-15(13)23-12-8-10-21(11-9-12)14-5-3-7-16-17(14)20-18(22)24-16/h1-7,12H,8-11H2,(H,20,22)
InChIKeyWBKPBQGCRHSYKB-UHFFFAOYSA-N
XLogP3.78
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenoxy)piperidin-1-yl]-3H-1,3-benzothiazol-2-one?
The IUPAC name of 4-[4-(2-fluorophenoxy)piperidin-1-yl]-3H-1,3-benzothiazol-2-one (CID 67275166) is 4-[4-(2-fluorophenoxy)piperidin-1-yl]-3H-1,3-benzothiazol-2-one.
What is the SMILES notation for 4-[4-(2-fluorophenoxy)piperidin-1-yl]-3H-1,3-benzothiazol-2-one?
The canonical SMILES for 4-[4-(2-fluorophenoxy)piperidin-1-yl]-3H-1,3-benzothiazol-2-one is O=c1[nH]c2c(N3CCC(Oc4ccccc4F)CC3)cccc2s1.
What is the InChIKey of 4-[4-(2-fluorophenoxy)piperidin-1-yl]-3H-1,3-benzothiazol-2-one?
The InChIKey is WBKPBQGCRHSYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c19-13-4-1-2-6-15(13)23-12-8-10-21(11-9-12)14-5-3-7-16-17(14)20-18(22)24-16/h1-7,12H,8-11H2,(H,20,22).
What are the key properties of 4-[4-(2-fluorophenoxy)piperidin-1-yl]-3H-1,3-benzothiazol-2-one?
4-[4-(2-fluorophenoxy)piperidin-1-yl]-3H-1,3-benzothiazol-2-one has a molecular weight of 344.41 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenoxy)piperidin-1-yl]-3H-1,3-benzothiazol-2-one is sourced from PubChem (CID 67275166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).