1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone

C15H16ClNOS — CID 55185518

IUPAC1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone
SMILESO=C(c1csc2ccccc12)N1CCCC(CCl)C1
InChIInChI=1S/C15H16ClNOS/c16-8-11-4-3-7-17(9-11)15(18)13-10-19-14-6-2-1-5-12(13)14/h1-2,5-6,10-11H,3-4,7-9H2
InChIKeyXCLJCYQYTFITBB-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.99
Rot. Bonds2

About 1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone

1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone (PubChem CID 55185518) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone
PubChem CID55185518
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone
SMILESO=C(c1csc2ccccc12)N1CCCC(CCl)C1
InChIInChI=1S/C15H16ClNOS/c16-8-11-4-3-7-17(9-11)15(18)13-10-19-14-6-2-1-5-12(13)14/h1-2,5-6,10-11H,3-4,7-9H2
InChIKeyXCLJCYQYTFITBB-UHFFFAOYSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[(3S)-1-(1-benzothiophene-3-carbonyl)piperidin-3-yl]propanoic acid
CID 124700764
1-benzothiophen-3-yl-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone
CID 166435479
[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63392881
azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone
CID 24643105
1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 154738823
1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937282
1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone
CID 81209686
(2-bromo-3-methylphenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 107983905
(3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403203
[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299541
[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148
[3-(chloromethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64955803

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone?
The IUPAC name of 1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone (CID 55185518) is 1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone is O=C(c1csc2ccccc12)N1CCCC(CCl)C1.
What is the InChIKey of 1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone?
The InChIKey is XCLJCYQYTFITBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c16-8-11-4-3-7-17(9-11)15(18)13-10-19-14-6-2-1-5-12(13)14/h1-2,5-6,10-11H,3-4,7-9H2.
What are the key properties of 1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone?
1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone has a molecular weight of 293.82 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 55185518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).