5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one

C22H24FNO2S — CID 10249506

IUPAC5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one
SMILESO=C(c1ccc(F)cc1)C1CCN(CCC2CCc3sccc3C2=O)CC1
InChIInChI=1S/C22H24FNO2S/c23-18-4-1-15(2-5-18)21(25)17-8-12-24(13-9-17)11-7-16-3-6-20-19(22(16)26)10-14-27-20/h1-2,4-5,10,14,16-17H,3,6-9,11-13H2
InChIKeyAJNQCCIFRZGSQR-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.62
Rot. Bonds5

About 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one

5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one (PubChem CID 10249506) has the molecular formula C22H24FNO2S and a molecular weight of 385.50 g/mol. Its IUPAC name is 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one.

Molecular Properties

Compound Name5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one
PubChem CID10249506
Molecular FormulaC22H24FNO2S
Molecular Weight385.50 g/mol
Exact Mass385.15
IUPAC Name5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one
SMILESO=C(c1ccc(F)cc1)C1CCN(CCC2CCc3sccc3C2=O)CC1
InChIInChI=1S/C22H24FNO2S/c23-18-4-1-15(2-5-18)21(25)17-8-12-24(13-9-17)11-7-16-3-6-20-19(22(16)26)10-14-27-20/h1-2,4-5,10,14,16-17H,3,6-9,11-13H2
InChIKeyAJNQCCIFRZGSQR-UHFFFAOYSA-N
XLogP4.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one?
The IUPAC name of 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one (CID 10249506) is 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one.
What is the SMILES notation for 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one?
The canonical SMILES for 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one is O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3sccc3C2=O)CC1.
What is the InChIKey of 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one?
The InChIKey is AJNQCCIFRZGSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO2S/c23-18-4-1-15(2-5-18)21(25)17-8-12-24(13-9-17)11-7-16-3-6-20-19(22(16)26)10-14-27-20/h1-2,4-5,10,14,16-17H,3,6-9,11-13H2.
What are the key properties of 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one?
5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one has a molecular weight of 385.50 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one is sourced from PubChem (CID 10249506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).