1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone

C14H20ClNOS — CID 62205766

IUPAC1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
SMILESCCCC1CCN(CC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H20ClNOS/c1-2-3-11-6-8-16(9-7-11)10-12(17)13-4-5-14(15)18-13/h4-5,11H,2-3,6-10H2,1H3
InChIKeyKZSGBLCAFNQOPP-UHFFFAOYSA-N
MW285.84 g/mol
LogP4.10
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone

1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone (PubChem CID 62205766) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
PubChem CID62205766
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
SMILESCCCC1CCN(CC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H20ClNOS/c1-2-3-11-6-8-16(9-7-11)10-12(17)13-4-5-14(15)18-13/h4-5,11H,2-3,6-10H2,1H3
InChIKeyKZSGBLCAFNQOPP-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 62037332
1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone
CID 62369289
1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 79175254
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 43797238
1-(5-chlorothiophen-2-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 43228349
1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43796615
1-(5-chlorothiophen-2-yl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanone
CID 107456966
1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 55050319
1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone
CID 104690747
1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one
CID 43161016
1-(5-chlorothiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 43228277
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62123229

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone (CID 62205766) is 1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone is CCCC1CCN(CC(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone?
The InChIKey is KZSGBLCAFNQOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-2-3-11-6-8-16(9-7-11)10-12(17)13-4-5-14(15)18-13/h4-5,11H,2-3,6-10H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone?
1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone has a molecular weight of 285.84 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone is sourced from PubChem (CID 62205766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).