2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone

C18H26N2O4S — CID 9069022

IUPAC2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
SMILESCCOc1ccccc1N1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C18H26N2O4S/c1-2-24-17-6-4-3-5-16(17)19-8-10-20(11-9-19)18(21)13-15-7-12-25(22,23)14-15/h3-6,15H,2,7-14H2,1H3/t15-/m0/s1
InChIKeyALEFBOYKJJIAOA-HNNXBMFYSA-N
MW366.48 g/mol
LogP1.56
Rot. Bonds5

About 2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone

2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 9069022) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
PubChem CID9069022
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
SMILESCCOc1ccccc1N1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C18H26N2O4S/c1-2-24-17-6-4-3-5-16(17)19-8-10-20(11-9-19)18(21)13-15-7-12-25(22,23)14-15/h3-6,15H,2,7-14H2,1H3/t15-/m0/s1
InChIKeyALEFBOYKJJIAOA-HNNXBMFYSA-N
XLogP1.56
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
CID 13368200
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide
CID 7222858
2-(1,1-dioxothiolan-3-yl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 110346624
2-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109003360
N-(1,1-dioxothiolan-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949040
(2S)-2-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 9415539
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 119826574
(3aS,7aR)-2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7923175
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78782303
4-ethoxy-N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9415430
2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 9346325

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone (CID 9069022) is 2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone is CCOc1ccccc1N1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is ALEFBOYKJJIAOA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-2-24-17-6-4-3-5-16(17)19-8-10-20(11-9-19)18(21)13-15-7-12-25(22,23)14-15/h3-6,15H,2,7-14H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone?
2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 366.48 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 9069022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).