(5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

C13H19NO2S — CID 103900661

IUPAC(5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCCc1ccc(C(=O)N2CCC(C)C(O)C2)s1
InChIInChI=1S/C13H19NO2S/c1-3-10-4-5-12(17-10)13(16)14-7-6-9(2)11(15)8-14/h4-5,9,11,15H,3,6-8H2,1-2H3
InChIKeyAURIUQAMGXWUJD-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.15
Rot. Bonds2

About (5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

(5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 103900661) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID103900661
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCCc1ccc(C(=O)N2CCC(C)C(O)C2)s1
InChIInChI=1S/C13H19NO2S/c1-3-10-4-5-12(17-10)13(16)14-7-6-9(2)11(15)8-14/h4-5,9,11,15H,3,6-8H2,1-2H3
InChIKeyAURIUQAMGXWUJD-UHFFFAOYSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 114960404
(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224288
(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone
CID 62067194
(5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627456
(5-ethylthiophen-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113340498
(5-ethylthiophen-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 95381708
(2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone
CID 25237007
1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 43355865
(5-ethyl-4-methylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900208
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone
CID 51942650
ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 43409448
(4,5-dimethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900652

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 103900661) is (5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is CCc1ccc(C(=O)N2CCC(C)C(O)C2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is AURIUQAMGXWUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-3-10-4-5-12(17-10)13(16)14-7-6-9(2)11(15)8-14/h4-5,9,11,15H,3,6-8H2,1-2H3.
What are the key properties of (5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
(5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 253.37 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 103900661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).