1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one

C17H21NOS — CID 3046060

IUPAC1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one
SMILESO=C(CCCN1CCCCC1)c1csc2ccccc12
InChIInChI=1S/C17H21NOS/c19-16(8-6-12-18-10-4-1-5-11-18)15-13-20-17-9-3-2-7-14(15)17/h2-3,7,9,13H,1,4-6,8,10-12H2
InChIKeyXHZLRANNVQQTBC-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.35
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one

1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one (PubChem CID 3046060) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one
PubChem CID3046060
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one
SMILESO=C(CCCN1CCCCC1)c1csc2ccccc12
InChIInChI=1S/C17H21NOS/c19-16(8-6-12-18-10-4-1-5-11-18)15-13-20-17-9-3-2-7-14(15)17/h2-3,7,9,13H,1,4-6,8,10-12H2
InChIKeyXHZLRANNVQQTBC-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-5-bromopentan-1-one
CID 146011096
1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one
CID 54160942
1-(1-benzothiophen-3-yl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 52951871
1-(1-benzothiophen-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 11728223
1-(1-benzothiophen-3-yl)oct-7-en-1-one
CID 107011236
2-(1-benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)pent-1-en-1-one
CID 90056958
1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one
CID 54276686
1-(1-benzothiophen-3-yl)-4-[di(propan-2-yl)amino]butan-1-one
CID 3046056
N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide
CID 24871627
1-benzothiophen-3-yl-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 80661319
1-benzothiophen-3-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636244
azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone
CID 24643105

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one?
The IUPAC name of 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one (CID 3046060) is 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one is O=C(CCCN1CCCCC1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one?
The InChIKey is XHZLRANNVQQTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c19-16(8-6-12-18-10-4-1-5-11-18)15-13-20-17-9-3-2-7-14(15)17/h2-3,7,9,13H,1,4-6,8,10-12H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one?
1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one has a molecular weight of 287.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 3046060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).