1-(2,5-dimethylthiophen-3-yl)-2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)ethanone

C15H23NO2S — CID 112747206

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)ethanone
SMILESCc1cc(C(=O)CN2CCC(O)C(C)(C)C2)c(C)s1
InChIInChI=1S/C15H23NO2S/c1-10-7-12(11(2)19-10)13(17)8-16-6-5-14(18)15(3,4)9-16/h7,14,18H,5-6,8-9H2,1-4H3
InChIKeyGRHGPDJEWOAJIT-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.64
Rot. Bonds3

About 1-(2,5-dimethylthiophen-3-yl)-2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)ethanone

1-(2,5-dimethylthiophen-3-yl)-2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)ethanone (PubChem CID 112747206) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)ethanone
PubChem CID112747206
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)ethanone
SMILESCc1cc(C(=O)CN2CCC(O)C(C)(C)C2)c(C)s1
InChIInChI=1S/C15H23NO2S/c1-10-7-12(11(2)19-10)13(17)8-16-6-5-14(18)15(3,4)9-16/h7,14,18H,5-6,8-9H2,1-4H3
InChIKeyGRHGPDJEWOAJIT-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,4-dimethylazepan-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 65282532
1-(2,5-dimethylthiophen-3-yl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114798441
1-(2,5-dimethylthiophen-3-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170132
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 115560586
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-4-one
CID 62053004
4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64694097
1-(2,5-dimethylthiophen-3-yl)-4-(4-hydroxypiperidin-1-yl)butane-1,4-dione
CID 60590572
3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835302
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 60680059
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1,4-diazepan-5-one
CID 55133730
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 9373125
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79505869

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)ethanone (CID 112747206) is 1-(2,5-dimethylthiophen-3-yl)-2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)ethanone is Cc1cc(C(=O)CN2CCC(O)C(C)(C)C2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)ethanone?
The InChIKey is GRHGPDJEWOAJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-10-7-12(11(2)19-10)13(17)8-16-6-5-14(18)15(3,4)9-16/h7,14,18H,5-6,8-9H2,1-4H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)ethanone?
1-(2,5-dimethylthiophen-3-yl)-2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)ethanone has a molecular weight of 281.42 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 112747206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).