2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

C17H21N3O2S — CID 16667942

IUPAC2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCC(O)(c2ccccn2)CC1)NCc1cccs1
InChIInChI=1S/C17H21N3O2S/c21-16(19-12-14-4-3-11-23-14)13-20-9-6-17(22,7-10-20)15-5-1-2-8-18-15/h1-5,8,11,22H,6-7,9-10,12-13H2,(H,19,21)
InChIKeyARWDITDKUXQDKT-UHFFFAOYSA-N
MW331.44 g/mol
LogP1.74
Rot. Bonds5

About 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 16667942) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID16667942
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCC(O)(c2ccccn2)CC1)NCc1cccs1
InChIInChI=1S/C17H21N3O2S/c21-16(19-12-14-4-3-11-23-14)13-20-9-6-17(22,7-10-20)15-5-1-2-8-18-15/h1-5,8,11,22H,6-7,9-10,12-13H2,(H,19,21)
InChIKeyARWDITDKUXQDKT-UHFFFAOYSA-N
XLogP1.74
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 35011271
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30746228
2-[4-(fluoromethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 171701259
N-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 16668097
1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825
3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 91834194
3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid
CID 63136606
2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 175642147
N-[(1-pyridin-2-ylcyclopropyl)methyl]-2-thiophen-2-ylacetamide
CID 110483280
2-[(2S)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 124843863
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27068240

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 16667942) is 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1CCC(O)(c2ccccn2)CC1)NCc1cccs1.
What is the InChIKey of 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ARWDITDKUXQDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-16(19-12-14-4-3-11-23-14)13-20-9-6-17(22,7-10-20)15-5-1-2-8-18-15/h1-5,8,11,22H,6-7,9-10,12-13H2,(H,19,21).
What are the key properties of 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 331.44 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 16667942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).