1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one

C14H15NO2S — CID 79212249

IUPAC1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)C2CSc3ccccc32)CC1
InChIInChI=1S/C14H15NO2S/c16-10-5-7-15(8-6-10)14(17)12-9-18-13-4-2-1-3-11(12)13/h1-4,12H,5-9H2
InChIKeyFKLWDNUAPVBUSO-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.07
Rot. Bonds1

About 1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one

1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one (PubChem CID 79212249) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one
PubChem CID79212249
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)C2CSc3ccccc32)CC1
InChIInChI=1S/C14H15NO2S/c16-10-5-7-15(8-6-10)14(17)12-9-18-13-4-2-1-3-11(12)13/h1-4,12H,5-9H2
InChIKeyFKLWDNUAPVBUSO-UHFFFAOYSA-N
XLogP2.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydro-1-benzothiophen-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79212074
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
4-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperazin-2-one
CID 78993619
2,3-dihydro-1-benzothiophen-3-yl-(3-hydroxypiperidin-1-yl)methanone
CID 78993539
2,3-dihydro-1-benzothiophen-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 79213999
[(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-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 79993486
1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperidin-4-one
CID 66395152
2,3-dihydro-1-benzothiophen-3-yl-(7,7-dimethyl-1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 119036009
3-amino-1-(2,3-dihydro-1-benzothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323369

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one (CID 79212249) is 1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one is O=C1CCN(C(=O)C2CSc3ccccc32)CC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one?
The InChIKey is FKLWDNUAPVBUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c16-10-5-7-15(8-6-10)14(17)12-9-18-13-4-2-1-3-11(12)13/h1-4,12H,5-9H2.
What are the key properties of 1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one?
1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one has a molecular weight of 261.35 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one is sourced from PubChem (CID 79212249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).