(5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C13H20N2O2S — CID 43416286

IUPAC(5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(CCO)CC2)s1
InChIInChI=1S/C13H20N2O2S/c1-2-11-3-4-12(18-11)13(17)15-7-5-14(6-8-15)9-10-16/h3-4,16H,2,5-10H2,1H3
InChIKeyAJJKQUVGUVHNJZ-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.06
Rot. Bonds4

About (5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 43416286) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID43416286
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(CCO)CC2)s1
InChIInChI=1S/C13H20N2O2S/c1-2-11-3-4-12(18-11)13(17)15-7-5-14(6-8-15)9-10-16/h3-4,16H,2,5-10H2,1H3
InChIKeyAJJKQUVGUVHNJZ-UHFFFAOYSA-N
XLogP1.06
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 80665316
2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62317957
(5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17249502
(5-ethylthiophen-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113340498
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 57442730
(5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43427788
(5-ethylthiophen-2-yl)-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone
CID 133119695
4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione
CID 66085509
(4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43390963
(2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone
CID 25237007
(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone
CID 62067194
1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160923

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 43416286) is (5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(CCO)CC2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is AJJKQUVGUVHNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-11-3-4-12(18-11)13(17)15-7-5-14(6-8-15)9-10-16/h3-4,16H,2,5-10H2,1H3.
What are the key properties of (5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 268.38 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 43416286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).