1-[4-[7-(trifluoromethyl)-1-benzothiophen-3-yl]piperidin-1-yl]ethanone

C16H16F3NOS — CID 23112505

IUPAC1-[4-[7-(trifluoromethyl)-1-benzothiophen-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2csc3c(C(F)(F)F)cccc23)CC1
InChIInChI=1S/C16H16F3NOS/c1-10(21)20-7-5-11(6-8-20)13-9-22-15-12(13)3-2-4-14(15)16(17,18)19/h2-4,9,11H,5-8H2,1H3
InChIKeyJDGJQPWHFREJTR-UHFFFAOYSA-N
MW327.37 g/mol
LogP4.65
Rot. Bonds1

About 1-[4-[7-(trifluoromethyl)-1-benzothiophen-3-yl]piperidin-1-yl]ethanone

1-[4-[7-(trifluoromethyl)-1-benzothiophen-3-yl]piperidin-1-yl]ethanone (PubChem CID 23112505) has the molecular formula C16H16F3NOS and a molecular weight of 327.37 g/mol. Its IUPAC name is 1-[4-[7-(trifluoromethyl)-1-benzothiophen-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[7-(trifluoromethyl)-1-benzothiophen-3-yl]piperidin-1-yl]ethanone
PubChem CID23112505
Molecular FormulaC16H16F3NOS
Molecular Weight327.37 g/mol
Exact Mass327.09
IUPAC Name1-[4-[7-(trifluoromethyl)-1-benzothiophen-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2csc3c(C(F)(F)F)cccc23)CC1
InChIInChI=1S/C16H16F3NOS/c1-10(21)20-7-5-11(6-8-20)13-9-22-15-12(13)3-2-4-14(15)16(17,18)19/h2-4,9,11H,5-8H2,1H3
InChIKeyJDGJQPWHFREJTR-UHFFFAOYSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(trifluoromethyl)-1-benzothiophen-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[7-(trifluoromethyl)-1-benzothiophen-3-yl]piperidin-1-yl]ethanone (CID 23112505) is 1-[4-[7-(trifluoromethyl)-1-benzothiophen-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[7-(trifluoromethyl)-1-benzothiophen-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[7-(trifluoromethyl)-1-benzothiophen-3-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2csc3c(C(F)(F)F)cccc23)CC1.
What is the InChIKey of 1-[4-[7-(trifluoromethyl)-1-benzothiophen-3-yl]piperidin-1-yl]ethanone?
The InChIKey is JDGJQPWHFREJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NOS/c1-10(21)20-7-5-11(6-8-20)13-9-22-15-12(13)3-2-4-14(15)16(17,18)19/h2-4,9,11H,5-8H2,1H3.
What are the key properties of 1-[4-[7-(trifluoromethyl)-1-benzothiophen-3-yl]piperidin-1-yl]ethanone?
1-[4-[7-(trifluoromethyl)-1-benzothiophen-3-yl]piperidin-1-yl]ethanone has a molecular weight of 327.37 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(trifluoromethyl)-1-benzothiophen-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 23112505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).