2,3-dihydro-1-benzothiophen-3-yl-(3-hydroxypiperidin-1-yl)methanone

C14H17NO2S — CID 78993539

IUPAC2,3-dihydro-1-benzothiophen-3-yl-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1CSc2ccccc21)N1CCCC(O)C1
InChIInChI=1S/C14H17NO2S/c16-10-4-3-7-15(8-10)14(17)12-9-18-13-6-2-1-5-11(12)13/h1-2,5-6,10,12,16H,3-4,7-9H2
InChIKeyMNRGYMQOSHMXJE-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.86
Rot. Bonds1

About 2,3-dihydro-1-benzothiophen-3-yl-(3-hydroxypiperidin-1-yl)methanone

2,3-dihydro-1-benzothiophen-3-yl-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 78993539) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-3-yl-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-3-yl-(3-hydroxypiperidin-1-yl)methanone
PubChem CID78993539
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2,3-dihydro-1-benzothiophen-3-yl-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1CSc2ccccc21)N1CCCC(O)C1
InChIInChI=1S/C14H17NO2S/c16-10-4-3-7-15(8-10)14(17)12-9-18-13-6-2-1-5-11(12)13/h1-2,5-6,10,12,16H,3-4,7-9H2
InChIKeyMNRGYMQOSHMXJE-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzothiophen-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79212074
[(3S)-3-aminopiperidin-1-yl]-[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanone
CID 124516146
(3-aminopiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 79213096
[3-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 79212624
3-[(3R)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]propanoic acid
CID 124701856
1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one
CID 79212249
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95771513
2,3-dihydro-1-benzothiophen-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 79213999
2-[1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-yl]acetic acid
CID 79612715
1-[4-(2,3-dihydro-1-benzothiophene-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 71875440
(3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 79993486
2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypiperidin-1-yl)methanone
CID 43415901

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(3-hydroxypiperidin-1-yl)methanone (CID 78993539) is 2,3-dihydro-1-benzothiophen-3-yl-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-3-yl-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-3-yl-(3-hydroxypiperidin-1-yl)methanone is O=C(C1CSc2ccccc21)N1CCCC(O)C1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-3-yl-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is MNRGYMQOSHMXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c16-10-4-3-7-15(8-10)14(17)12-9-18-13-6-2-1-5-11(12)13/h1-2,5-6,10,12,16H,3-4,7-9H2.
What are the key properties of 2,3-dihydro-1-benzothiophen-3-yl-(3-hydroxypiperidin-1-yl)methanone?
2,3-dihydro-1-benzothiophen-3-yl-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 263.36 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-3-yl-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 78993539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).