2-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)ethanethioamide

C14H20N2O2S — CID 84750141

IUPAC2-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)ethanethioamide
SMILESCOc1cccc(C(C(N)=S)N2CCC(O)CC2)c1
InChIInChI=1S/C14H20N2O2S/c1-18-12-4-2-3-10(9-12)13(14(15)19)16-7-5-11(17)6-8-16/h2-4,9,11,13,17H,5-8H2,1H3,(H2,15,19)
InChIKeyZDXLUUNFGXHZCB-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.48
Rot. Bonds4

About 2-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)ethanethioamide

2-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)ethanethioamide (PubChem CID 84750141) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)ethanethioamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)ethanethioamide
PubChem CID84750141
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)ethanethioamide
SMILESCOc1cccc(C(C(N)=S)N2CCC(O)CC2)c1
InChIInChI=1S/C14H20N2O2S/c1-18-12-4-2-3-10(9-12)13(14(15)19)16-7-5-11(17)6-8-16/h2-4,9,11,13,17H,5-8H2,1H3,(H2,15,19)
InChIKeyZDXLUUNFGXHZCB-UHFFFAOYSA-N
XLogP1.48
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)ethanethioamide
CID 84750146
2-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanethioamide
CID 84758159
2-(1,3-benzodioxol-5-yl)-2-(4-hydroxypiperidin-1-yl)ethanethioamide
CID 84750159
1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
CID 102956038
1-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanone
CID 112539372
[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
CID 19979366
4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106126753
1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one
CID 141244570
(3R)-1-[2-fluoro-1-(3-methoxyphenyl)-2,2-dipyridin-3-ylethyl]pyrrolidin-3-ol
CID 57425757
4-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium
CID 161055265
9-hydroxy-3-[(1S)-1-(3-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 160709287
2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol
CID 116712494

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)ethanethioamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)ethanethioamide (CID 84750141) is 2-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)ethanethioamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)ethanethioamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)ethanethioamide is COc1cccc(C(C(N)=S)N2CCC(O)CC2)c1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)ethanethioamide?
The InChIKey is ZDXLUUNFGXHZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-18-12-4-2-3-10(9-12)13(14(15)19)16-7-5-11(17)6-8-16/h2-4,9,11,13,17H,5-8H2,1H3,(H2,15,19).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)ethanethioamide?
2-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)ethanethioamide has a molecular weight of 280.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)ethanethioamide is sourced from PubChem (CID 84750141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).