(4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone

C15H16FNOS — CID 35809689

IUPAC(4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCCC2)sc2cccc(F)c12
InChIInChI=1S/C15H16FNOS/c1-10-13-11(16)6-5-7-12(13)19-14(10)15(18)17-8-3-2-4-9-17/h5-7H,2-4,8-9H2,1H3
InChIKeyQVFRUZKABXOOTL-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.97
Rot. Bonds1

About (4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone

(4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone (PubChem CID 35809689) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is (4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
PubChem CID35809689
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name(4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCCC2)sc2cccc(F)c12
InChIInChI=1S/C15H16FNOS/c1-10-13-11(16)6-5-7-12(13)19-14(10)15(18)17-8-3-2-4-9-17/h5-7H,2-4,8-9H2,1H3
InChIKeyQVFRUZKABXOOTL-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(4-fluoro-3-methyl-1-benzothiophen-2-yl)methanone
CID 36675871
[2-(azepan-1-yl)-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 9062031
(4-benzyl-1,4-diazepan-1-yl)-(4-fluoro-3-methyl-1-benzothiophen-2-yl)methanone
CID 55461375
[(2R)-1-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 97002963
6-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175443
azetidin-1-yl-[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanone
CID 134015607
1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 55868118
(2S)-1-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61136212
1-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355489
N-[1-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 34351330
4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 7129158
(4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312877

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone (CID 35809689) is (4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone is Cc1c(C(=O)N2CCCCC2)sc2cccc(F)c12.
What is the InChIKey of (4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone?
The InChIKey is QVFRUZKABXOOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-10-13-11(16)6-5-7-12(13)19-14(10)15(18)17-8-3-2-4-9-17/h5-7H,2-4,8-9H2,1H3.
What are the key properties of (4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone?
(4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone has a molecular weight of 277.36 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 35809689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).