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

C15H21ClN2OS — CID 62369289

IUPAC1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(C2CCCC2)CC1)c1ccc(Cl)s1
InChIInChI=1S/C15H21ClN2OS/c16-15-6-5-14(20-15)13(19)11-17-7-9-18(10-8-17)12-3-1-2-4-12/h5-6,12H,1-4,7-11H2
InChIKeyHFPKFZNMVNXXAM-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.14
Rot. Bonds4

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

1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone (PubChem CID 62369289) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone
PubChem CID62369289
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(C2CCCC2)CC1)c1ccc(Cl)s1
InChIInChI=1S/C15H21ClN2OS/c16-15-6-5-14(20-15)13(19)11-17-7-9-18(10-8-17)12-3-1-2-4-12/h5-6,12H,1-4,7-11H2
InChIKeyHFPKFZNMVNXXAM-UHFFFAOYSA-N
XLogP3.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.14
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
2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
CID 61445237
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 43797238
1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 62205766
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 62037332
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(5-bromothiophen-2-yl)ethanone
CID 79942862
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-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 43228277
1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 4014587
1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone
CID 104690747
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62123229
1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone
CID 60644172

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone (CID 62369289) is 1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone is O=C(CN1CCN(C2CCCC2)CC1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone?
The InChIKey is HFPKFZNMVNXXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c16-15-6-5-14(20-15)13(19)11-17-7-9-18(10-8-17)12-3-1-2-4-12/h5-6,12H,1-4,7-11H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone?
1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone has a molecular weight of 312.87 g/mol, XLogP of 3.14, 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-cyclopentylpiperazin-1-yl)ethanone is sourced from PubChem (CID 62369289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).