[5-(3,4-difluorophenyl)thiophen-2-yl]-piperidin-1-ylmethanone

C16H15F2NOS — CID 24720318

IUPAC[5-(3,4-difluorophenyl)thiophen-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(F)c(F)c2)s1)N1CCCCC1
InChIInChI=1S/C16H15F2NOS/c17-12-5-4-11(10-13(12)18)14-6-7-15(21-14)16(20)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2
InChIKeyUSQMANDTIARGGZ-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.32
Rot. Bonds2

About [5-(3,4-difluorophenyl)thiophen-2-yl]-piperidin-1-ylmethanone

[5-(3,4-difluorophenyl)thiophen-2-yl]-piperidin-1-ylmethanone (PubChem CID 24720318) has the molecular formula C16H15F2NOS and a molecular weight of 307.37 g/mol. Its IUPAC name is [5-(3,4-difluorophenyl)thiophen-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(3,4-difluorophenyl)thiophen-2-yl]-piperidin-1-ylmethanone
PubChem CID24720318
Molecular FormulaC16H15F2NOS
Molecular Weight307.37 g/mol
Exact Mass307.08
IUPAC Name[5-(3,4-difluorophenyl)thiophen-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(F)c(F)c2)s1)N1CCCCC1
InChIInChI=1S/C16H15F2NOS/c17-12-5-4-11(10-13(12)18)14-6-7-15(21-14)16(20)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2
InChIKeyUSQMANDTIARGGZ-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-difluorophenyl)thiophen-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(3,4-difluorophenyl)thiophen-2-yl]-piperidin-1-ylmethanone (CID 24720318) is [5-(3,4-difluorophenyl)thiophen-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(3,4-difluorophenyl)thiophen-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(3,4-difluorophenyl)thiophen-2-yl]-piperidin-1-ylmethanone is O=C(c1ccc(-c2ccc(F)c(F)c2)s1)N1CCCCC1.
What is the InChIKey of [5-(3,4-difluorophenyl)thiophen-2-yl]-piperidin-1-ylmethanone?
The InChIKey is USQMANDTIARGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NOS/c17-12-5-4-11(10-13(12)18)14-6-7-15(21-14)16(20)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2.
What are the key properties of [5-(3,4-difluorophenyl)thiophen-2-yl]-piperidin-1-ylmethanone?
[5-(3,4-difluorophenyl)thiophen-2-yl]-piperidin-1-ylmethanone has a molecular weight of 307.37 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-difluorophenyl)thiophen-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 24720318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).