3-(2-fluorophenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one

C18H20FNOS — CID 71807076

IUPAC3-(2-fluorophenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C18H20FNOS/c19-17-4-2-1-3-15(17)5-6-18(21)20-10-7-14(8-11-20)16-9-12-22-13-16/h1-4,9,12-14H,5-8,10-11H2
InChIKeyLKYMWGYEOOFQIM-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.23
Rot. Bonds4

About 3-(2-fluorophenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one

3-(2-fluorophenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one (PubChem CID 71807076) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one
PubChem CID71807076
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name3-(2-fluorophenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C18H20FNOS/c19-17-4-2-1-3-15(17)5-6-18(21)20-10-7-14(8-11-20)16-9-12-22-13-16/h1-4,9,12-14H,5-8,10-11H2
InChIKeyLKYMWGYEOOFQIM-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one (CID 71807076) is 3-(2-fluorophenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one is O=C(CCc1ccccc1F)N1CCC(c2ccsc2)CC1.
What is the InChIKey of 3-(2-fluorophenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one?
The InChIKey is LKYMWGYEOOFQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c19-17-4-2-1-3-15(17)5-6-18(21)20-10-7-14(8-11-20)16-9-12-22-13-16/h1-4,9,12-14H,5-8,10-11H2.
What are the key properties of 3-(2-fluorophenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one?
3-(2-fluorophenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one has a molecular weight of 317.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 71807076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).