2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone

C19H28N2O3S — CID 120740036

IUPAC2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
SMILESCCc1ccc(C2CNCCN2C(=O)CS(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-2-15-7-9-16(10-8-15)18-13-20-11-12-21(18)19(22)14-25(23,24)17-5-3-4-6-17/h7-10,17-18,20H,2-6,11-14H2,1H3
InChIKeyPWIOTAZALFCUHF-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.08
Rot. Bonds5

About 2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone

2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone (PubChem CID 120740036) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
PubChem CID120740036
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
SMILESCCc1ccc(C2CNCCN2C(=O)CS(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-2-15-7-9-16(10-8-15)18-13-20-11-12-21(18)19(22)14-25(23,24)17-5-3-4-6-17/h7-10,17-18,20H,2-6,11-14H2,1H3
InChIKeyPWIOTAZALFCUHF-UHFFFAOYSA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone
CID 120741179
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
[2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 120741621
2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120741617
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120740374
1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 120740667
2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120741616
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylsulfonylpiperidin-3-yl)methanone
CID 120740951

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone (CID 120740036) is 2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone is CCc1ccc(C2CNCCN2C(=O)CS(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of 2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone?
The InChIKey is PWIOTAZALFCUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-2-15-7-9-16(10-8-15)18-13-20-11-12-21(18)19(22)14-25(23,24)17-5-3-4-6-17/h7-10,17-18,20H,2-6,11-14H2,1H3.
What are the key properties of 2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone?
2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone has a molecular weight of 364.51 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 120740036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).