(3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone

C11H15NO2S — CID 115874944

IUPAC(3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone
SMILESCC1(O)CCCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C11H15NO2S/c1-11(14)4-2-5-12(8-11)10(13)9-3-6-15-7-9/h3,6-7,14H,2,4-5,8H2,1H3
InChIKeyUDXODULEZPFHNG-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.74
Rot. Bonds1

About (3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone

(3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone (PubChem CID 115874944) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone
PubChem CID115874944
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone
SMILESCC1(O)CCCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C11H15NO2S/c1-11(14)4-2-5-12(8-11)10(13)9-3-6-15-7-9/h3,6-7,14H,2,4-5,8H2,1H3
InChIKeyUDXODULEZPFHNG-UHFFFAOYSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115875217
(3-hydroxy-3-methylpiperidin-1-yl)-(4-sulfanylphenyl)methanone
CID 107036053
(4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874566
[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-thiophen-3-ylmethanone
CID 99972021
2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
CID 102849694
(3,4-dihydroxyphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 103958250
(5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 129395464
(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110
(3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875011
(3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874812
N-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 97393811
2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131680090

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone?
The IUPAC name of (3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone (CID 115874944) is (3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone is CC1(O)CCCN(C(=O)c2ccsc2)C1.
What is the InChIKey of (3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone?
The InChIKey is UDXODULEZPFHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-11(14)4-2-5-12(8-11)10(13)9-3-6-15-7-9/h3,6-7,14H,2,4-5,8H2,1H3.
What are the key properties of (3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone?
(3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone has a molecular weight of 225.31 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 115874944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).