1-piperidin-1-yl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propan-1-one

C19H20F3NO2S — CID 24947078

IUPAC1-piperidin-1-yl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccc(OC(F)(F)F)cc2)s1)N1CCCCC1
InChIInChI=1S/C19H20F3NO2S/c20-19(21,22)25-15-6-4-14(5-7-15)17-10-8-16(26-17)9-11-18(24)23-12-2-1-3-13-23/h4-8,10H,1-3,9,11-13H2
InChIKeyWFLKGAZHKBTAIS-UHFFFAOYSA-N
MW383.44 g/mol
LogP5.26
Rot. Bonds5

About 1-piperidin-1-yl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propan-1-one

1-piperidin-1-yl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propan-1-one (PubChem CID 24947078) has the molecular formula C19H20F3NO2S and a molecular weight of 383.44 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propan-1-one
PubChem CID24947078
Molecular FormulaC19H20F3NO2S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC Name1-piperidin-1-yl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccc(OC(F)(F)F)cc2)s1)N1CCCCC1
InChIInChI=1S/C19H20F3NO2S/c20-19(21,22)25-15-6-4-14(5-7-15)17-10-8-16(26-17)9-11-18(24)23-12-2-1-3-13-23/h4-8,10H,1-3,9,11-13H2
InChIKeyWFLKGAZHKBTAIS-UHFFFAOYSA-N
XLogP5.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.44
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propan-1-one?
The IUPAC name of 1-piperidin-1-yl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propan-1-one (CID 24947078) is 1-piperidin-1-yl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propan-1-one is O=C(CCc1ccc(-c2ccc(OC(F)(F)F)cc2)s1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propan-1-one?
The InChIKey is WFLKGAZHKBTAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2S/c20-19(21,22)25-15-6-4-14(5-7-15)17-10-8-16(26-17)9-11-18(24)23-12-2-1-3-13-23/h4-8,10H,1-3,9,11-13H2.
What are the key properties of 1-piperidin-1-yl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propan-1-one?
1-piperidin-1-yl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propan-1-one has a molecular weight of 383.44 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propan-1-one is sourced from PubChem (CID 24947078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).