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

C14H21NO2S — CID 103900208

IUPAC(5-ethyl-4-methylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCCc1sc(C(=O)N2CCC(C)C(O)C2)cc1C
InChIInChI=1S/C14H21NO2S/c1-4-12-10(3)7-13(18-12)14(17)15-6-5-9(2)11(16)8-15/h7,9,11,16H,4-6,8H2,1-3H3
InChIKeyXYZAWQCSLTZEAC-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.46
Rot. Bonds2

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

(5-ethyl-4-methylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 103900208) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (5-ethyl-4-methylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-ethyl-4-methylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID103900208
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(5-ethyl-4-methylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCCc1sc(C(=O)N2CCC(C)C(O)C2)cc1C
InChIInChI=1S/C14H21NO2S/c1-4-12-10(3)7-13(18-12)14(17)15-6-5-9(2)11(16)8-15/h7,9,11,16H,4-6,8H2,1-3H3
InChIKeyXYZAWQCSLTZEAC-UHFFFAOYSA-N
XLogP2.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dimethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900652
(5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900661
[4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 119645835
(4,5-dibromothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900858
2-[1-(5-ethyl-4-methylthiophene-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605779
(5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934725
1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134057870
(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901032
(4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877318
(5-ethyl-4-methylthiophen-2-yl)-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95615880
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 146084265
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 9223943

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-ethyl-4-methylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 103900208) is (5-ethyl-4-methylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-ethyl-4-methylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-ethyl-4-methylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is CCc1sc(C(=O)N2CCC(C)C(O)C2)cc1C.
What is the InChIKey of (5-ethyl-4-methylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is XYZAWQCSLTZEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-4-12-10(3)7-13(18-12)14(17)15-6-5-9(2)11(16)8-15/h7,9,11,16H,4-6,8H2,1-3H3.
What are the key properties of (5-ethyl-4-methylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
(5-ethyl-4-methylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 267.39 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 103900208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).