[3-(3,4-difluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone

C16H16F2N2OS — CID 24793886

IUPAC[3-(3,4-difluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCC(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H16F2N2OS/c17-14-4-3-12(8-15(14)18)19-13-2-1-6-20(9-13)16(21)11-5-7-22-10-11/h3-5,7-8,10,13,19H,1-2,6,9H2
InChIKeyXICLGHKAIRUFOL-UHFFFAOYSA-N
MW322.38 g/mol
LogP3.74
Rot. Bonds3

About [3-(3,4-difluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone

[3-(3,4-difluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 24793886) has the molecular formula C16H16F2N2OS and a molecular weight of 322.38 g/mol. Its IUPAC name is [3-(3,4-difluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-(3,4-difluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID24793886
Molecular FormulaC16H16F2N2OS
Molecular Weight322.38 g/mol
Exact Mass322.10
IUPAC Name[3-(3,4-difluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCC(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H16F2N2OS/c17-14-4-3-12(8-15(14)18)19-13-2-1-6-20(9-13)16(21)11-5-7-22-10-11/h3-5,7-8,10,13,19H,1-2,6,9H2
InChIKeyXICLGHKAIRUFOL-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-(3,4-difluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone (CID 24793886) is [3-(3,4-difluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-(3,4-difluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-(3,4-difluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCCC(Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of [3-(3,4-difluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is XICLGHKAIRUFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2OS/c17-14-4-3-12(8-15(14)18)19-13-2-1-6-20(9-13)16(21)11-5-7-22-10-11/h3-5,7-8,10,13,19H,1-2,6,9H2.
What are the key properties of [3-(3,4-difluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone?
[3-(3,4-difluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 322.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-difluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 24793886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).