[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone

C20H18FNO2S — CID 129160685

IUPAC[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc2c(-c3ccc(F)cc3)cccc2s1)N1CCC(O)CC1
InChIInChI=1S/C20H18FNO2S/c21-14-6-4-13(5-7-14)16-2-1-3-18-17(16)12-19(25-18)20(24)22-10-8-15(23)9-11-22/h1-7,12,15,23H,8-11H2
InChIKeyCLSQMXLQNDQIEP-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.30
Rot. Bonds2

About [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone

[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 129160685) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID129160685
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC Name[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc2c(-c3ccc(F)cc3)cccc2s1)N1CCC(O)CC1
InChIInChI=1S/C20H18FNO2S/c21-14-6-4-13(5-7-14)16-2-1-3-18-17(16)12-19(25-18)20(24)22-10-8-15(23)9-11-22/h1-7,12,15,23H,8-11H2
InChIKeyCLSQMXLQNDQIEP-UHFFFAOYSA-N
XLogP4.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418
methyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate
CID 51153857
4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide
CID 142725182
[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561560
1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid
CID 119349477
2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 43017477
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone
CID 84583540
[4-(4-fluorophenyl)piperazin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone
CID 8967208
4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 142725170
[4-(6-methoxy-3-pyridinyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 129160769
[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51144873
(3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 51888649

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 129160685) is [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone is O=C(c1cc2c(-c3ccc(F)cc3)cccc2s1)N1CCC(O)CC1.
What is the InChIKey of [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is CLSQMXLQNDQIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S/c21-14-6-4-13(5-7-14)16-2-1-3-18-17(16)12-19(25-18)20(24)22-10-8-15(23)9-11-22/h1-7,12,15,23H,8-11H2.
What are the key properties of [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 355.43 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 129160685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).