3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one

C18H20FNOS — CID 24946900

IUPAC3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCc1ccc(-c2ccc(F)cc2)s1)N1CCCCC1
InChIInChI=1S/C18H20FNOS/c19-15-6-4-14(5-7-15)17-10-8-16(22-17)9-11-18(21)20-12-2-1-3-13-20/h4-8,10H,1-3,9,11-13H2
InChIKeyGCCWOQZICJZNIX-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.50
Rot. Bonds4

About 3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one

3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 24946900) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID24946900
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCc1ccc(-c2ccc(F)cc2)s1)N1CCCCC1
InChIInChI=1S/C18H20FNOS/c19-15-6-4-14(5-7-15)17-10-8-16(22-17)9-11-18(21)20-12-2-1-3-13-20/h4-8,10H,1-3,9,11-13H2
InChIKeyGCCWOQZICJZNIX-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one
CID 110333957
1-(azetidin-1-yl)-3-(5-chlorothiophen-2-yl)propan-1-one
CID 60559847
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 94556875
2-[(E)-1-[5-(4-fluorophenyl)thiophen-2-yl]ethylideneamino]oxy-1-pyrrolidin-1-ylethanone
CID 94536036
2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid
CID 84756415
3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53033076
1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110798701
1-pyrrolidin-1-yl-3-(4-thiophen-2-ylphenyl)propan-1-one
CID 155529982
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 70756746
4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]benzoic acid
CID 58256876
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
3-(4-fluorophenyl)-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide
CID 110633755

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one (CID 24946900) is 3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one is O=C(CCc1ccc(-c2ccc(F)cc2)s1)N1CCCCC1.
What is the InChIKey of 3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is GCCWOQZICJZNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c19-15-6-4-14(5-7-15)17-10-8-16(22-17)9-11-18(21)20-12-2-1-3-13-20/h4-8,10H,1-3,9,11-13H2.
What are the key properties of 3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one?
3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 317.43 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 24946900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).