1-[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]ethanone

C15H16FNOS — CID 10356153

IUPAC1-[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2csc3cc(F)ccc23)CC1
InChIInChI=1S/C15H16FNOS/c1-10(18)17-6-4-11(5-7-17)14-9-19-15-8-12(16)2-3-13(14)15/h2-3,8-9,11H,4-7H2,1H3
InChIKeyYVQRHTBMBOBRNC-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.77
Rot. Bonds1

About 1-[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]ethanone

1-[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]ethanone (PubChem CID 10356153) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]ethanone
PubChem CID10356153
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name1-[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2csc3cc(F)ccc23)CC1
InChIInChI=1S/C15H16FNOS/c1-10(18)17-6-4-11(5-7-17)14-9-19-15-8-12(16)2-3-13(14)15/h2-3,8-9,11H,4-7H2,1H3
InChIKeyYVQRHTBMBOBRNC-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]ethanone (CID 10356153) is 1-[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2csc3cc(F)ccc23)CC1.
What is the InChIKey of 1-[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]ethanone?
The InChIKey is YVQRHTBMBOBRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-10(18)17-6-4-11(5-7-17)14-9-19-15-8-12(16)2-3-13(14)15/h2-3,8-9,11H,4-7H2,1H3.
What are the key properties of 1-[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]ethanone?
1-[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]ethanone has a molecular weight of 277.36 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 10356153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).