1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone

C13H19ClN2OS — CID 43797238

IUPAC1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(CC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C13H19ClN2OS/c1-10(2)16-7-5-15(6-8-16)9-11(17)12-3-4-13(14)18-12/h3-4,10H,5-9H2,1-2H3
InChIKeyLYVVLMOCTKEJCA-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.61
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone

1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 43797238) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID43797238
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(CC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C13H19ClN2OS/c1-10(2)16-7-5-15(6-8-16)9-11(17)12-3-4-13(14)18-12/h3-4,10H,5-9H2,1-2H3
InChIKeyLYVVLMOCTKEJCA-UHFFFAOYSA-N
XLogP2.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 43228349
1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone
CID 62369289
1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 62205766
1-(5-chlorothiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 43228277
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 62037332
1-(5-chlorothiophen-2-yl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanone
CID 107456966
1-(5-bromothiophen-2-yl)-2-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 62774039
1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 79175254
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylimidazolidin-2-one
CID 62491856
(5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134014867
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione
CID 55156736
1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43796615

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 43797238) is 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(CC(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is LYVVLMOCTKEJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-10(2)16-7-5-15(6-8-16)9-11(17)12-3-4-13(14)18-12/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone?
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 286.83 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 43797238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).