1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one

C16H19NOS — CID 58514078

IUPAC1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1ccc2ccsc2c1
InChIInChI=1S/C16H19NOS/c18-15(6-10-17-8-2-1-3-9-17)14-5-4-13-7-11-19-16(13)12-14/h4-5,7,11-12H,1-3,6,8-10H2
InChIKeyRJXAXXSPEVWNPZ-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.96
Rot. Bonds4

About 1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one

1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one (PubChem CID 58514078) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one
PubChem CID58514078
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1ccc2ccsc2c1
InChIInChI=1S/C16H19NOS/c18-15(6-10-17-8-2-1-3-9-17)14-5-4-13-7-11-19-16(13)12-14/h4-5,7,11-12H,1-3,6,8-10H2
InChIKeyRJXAXXSPEVWNPZ-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-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

3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one
CID 58514088
1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 58514245
5-(azepan-1-yl)-1-naphthalen-2-ylpentan-1-one
CID 59229826
1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050231
1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one
CID 58514231
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82064923
1-(1-benzothiophen-5-yl)pent-4-yn-1-one
CID 130921085
3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one
CID 94273024
3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one
CID 73213851
1-(1,3-benzoxazol-5-yl)-3-piperidin-1-ylpropan-1-one
CID 58514109

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one (CID 58514078) is 1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one is O=C(CCN1CCCCC1)c1ccc2ccsc2c1.
What is the InChIKey of 1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is RJXAXXSPEVWNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c18-15(6-10-17-8-2-1-3-9-17)14-5-4-13-7-11-19-16(13)12-14/h4-5,7,11-12H,1-3,6,8-10H2.
What are the key properties of 1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one?
1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 273.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 58514078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).