1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone

C14H15NO2S — CID 43393418

IUPAC1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCC(O)CC1
InChIInChI=1S/C14H15NO2S/c16-11-5-7-15(8-6-11)14(17)13-9-10-3-1-2-4-12(10)18-13/h1-4,9,11,16H,5-8H2
InChIKeyJQNSQTQVQXXMTG-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.50
Rot. Bonds1

About 1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone

1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 43393418) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
PubChem CID43393418
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCC(O)CC1
InChIInChI=1S/C14H15NO2S/c16-11-5-7-15(8-6-11)14(17)13-9-10-3-1-2-4-12(10)18-13/h1-4,9,11,16H,5-8H2
InChIKeyJQNSQTQVQXXMTG-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-2-yl-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403286
1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 78804876
[(3R)-3-aminopyrrolidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 119409997
1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251070
1-benzothiophen-2-yl-[(7R)-7-phenyl-1,4-thiazepan-4-yl]methanone
CID 99884152
1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 7578142
1-benzothiophen-2-yl-(4-bromo-3-methylpiperidin-1-yl)methanone
CID 114683536
1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 91815946
1-benzothiophen-2-yl-(4-benzylsulfonylpiperidin-1-yl)methanone
CID 119105549
[(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125154744
4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide
CID 61407080
(5-amino-1-benzothiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 11994539

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone (CID 43393418) is 1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone is O=C(c1cc2ccccc2s1)N1CCC(O)CC1.
What is the InChIKey of 1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is JQNSQTQVQXXMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c16-11-5-7-15(8-6-11)14(17)13-9-10-3-1-2-4-12(10)18-13/h1-4,9,11,16H,5-8H2.
What are the key properties of 1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone?
1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 261.35 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43393418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).