1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one

C14H21NOS — CID 116564334

IUPAC1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one
SMILESCCc1ccc(CC(=O)CC2CCCNC2)s1
InChIInChI=1S/C14H21NOS/c1-2-13-5-6-14(17-13)9-12(16)8-11-4-3-7-15-10-11/h5-6,11,15H,2-4,7-10H2,1H3
InChIKeyXRPHNZUZVGWMSJ-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.81
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one

1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one (PubChem CID 116564334) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one
PubChem CID116564334
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one
SMILESCCc1ccc(CC(=O)CC2CCCNC2)s1
InChIInChI=1S/C14H21NOS/c1-2-13-5-6-14(17-13)9-12(16)8-11-4-3-7-15-10-11/h5-6,11,15H,2-4,7-10H2,1H3
InChIKeyXRPHNZUZVGWMSJ-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-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

1-(5-ethylthiophen-2-yl)-3-piperidin-4-ylpropan-2-one
CID 116560034
1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583465
1-(4-bromothiophen-2-yl)-3-piperidin-3-ylpropan-2-one
CID 116564275
1-(5-bromothiophen-2-yl)-4-piperidin-3-ylbutan-2-one
CID 116562155
1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one
CID 116564283
1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586701
1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one
CID 116564193
1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one
CID 105411916
1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one
CID 116564113
1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone
CID 64982251
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide
CID 62674900
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-3-ylacetamide
CID 62675072

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one (CID 116564334) is 1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one is CCc1ccc(CC(=O)CC2CCCNC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one?
The InChIKey is XRPHNZUZVGWMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-13-5-6-14(17-13)9-12(16)8-11-4-3-7-15-10-11/h5-6,11,15H,2-4,7-10H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one?
1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one has a molecular weight of 251.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one is sourced from PubChem (CID 116564334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).