5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one

C21H22FNO2S — CID 10022123

IUPAC5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one
SMILESO=C(c1ccc(F)cc1)C1CCN(CCC2Cc3sccc3C2=O)CC1
InChIInChI=1S/C21H22FNO2S/c22-17-3-1-14(2-4-17)20(24)15-5-9-23(10-6-15)11-7-16-13-19-18(21(16)25)8-12-26-19/h1-4,8,12,15-16H,5-7,9-11,13H2
InChIKeyYJKQCYMQSRDUEQ-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.23
Rot. Bonds5

About 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one

5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one (PubChem CID 10022123) has the molecular formula C21H22FNO2S and a molecular weight of 371.48 g/mol. Its IUPAC name is 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one.

Molecular Properties

Compound Name5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one
PubChem CID10022123
Molecular FormulaC21H22FNO2S
Molecular Weight371.48 g/mol
Exact Mass371.14
IUPAC Name5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one
SMILESO=C(c1ccc(F)cc1)C1CCN(CCC2Cc3sccc3C2=O)CC1
InChIInChI=1S/C21H22FNO2S/c22-17-3-1-14(2-4-17)20(24)15-5-9-23(10-6-15)11-7-16-13-19-18(21(16)25)8-12-26-19/h1-4,8,12,15-16H,5-7,9-11,13H2
InChIKeyYJKQCYMQSRDUEQ-UHFFFAOYSA-N
XLogP4.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.23
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]-5,6-dihydrocyclopenta[b]thiophen-4-one?
The IUPAC name of 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one (CID 10022123) is 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one.
What is the SMILES notation for 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one?
The canonical SMILES for 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one is O=C(c1ccc(F)cc1)C1CCN(CCC2Cc3sccc3C2=O)CC1.
What is the InChIKey of 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one?
The InChIKey is YJKQCYMQSRDUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2S/c22-17-3-1-14(2-4-17)20(24)15-5-9-23(10-6-15)11-7-16-13-19-18(21(16)25)8-12-26-19/h1-4,8,12,15-16H,5-7,9-11,13H2.
What are the key properties of 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one?
5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one has a molecular weight of 371.48 g/mol, XLogP of 4.23, 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]-5,6-dihydrocyclopenta[b]thiophen-4-one is sourced from PubChem (CID 10022123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).