2-[(2R,5S)-5-methyl-2-thiophen-3-ylpiperidin-1-yl]-2-oxoacetamide

C12H16N2O2S — CID 169114365

IUPAC2-[(2R,5S)-5-methyl-2-thiophen-3-ylpiperidin-1-yl]-2-oxoacetamide
SMILESC[C@H]1CC[C@H](c2ccsc2)N(C(=O)C(N)=O)C1
InChIInChI=1S/C12H16N2O2S/c1-8-2-3-10(9-4-5-17-7-9)14(6-8)12(16)11(13)15/h4-5,7-8,10H,2-3,6H2,1H3,(H2,13,15)/t8-,10+/m0/s1
InChIKeyYUPSPXDRDCGRNI-WCBMZHEXSA-N
MW252.34 g/mol
LogP1.53
Rot. Bonds1

About 2-[(2R,5S)-5-methyl-2-thiophen-3-ylpiperidin-1-yl]-2-oxoacetamide

2-[(2R,5S)-5-methyl-2-thiophen-3-ylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 169114365) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[(2R,5S)-5-methyl-2-thiophen-3-ylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2R,5S)-5-methyl-2-thiophen-3-ylpiperidin-1-yl]-2-oxoacetamide
PubChem CID169114365
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-[(2R,5S)-5-methyl-2-thiophen-3-ylpiperidin-1-yl]-2-oxoacetamide
SMILESC[C@H]1CC[C@H](c2ccsc2)N(C(=O)C(N)=O)C1
InChIInChI=1S/C12H16N2O2S/c1-8-2-3-10(9-4-5-17-7-9)14(6-8)12(16)11(13)15/h4-5,7-8,10H,2-3,6H2,1H3,(H2,13,15)/t8-,10+/m0/s1
InChIKeyYUPSPXDRDCGRNI-WCBMZHEXSA-N
XLogP1.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169115043
2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide
CID 169115093
2-[(2R,5S)-5-methyl-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide
CID 169114290
2-[(2R,5S)-2-(5-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169114502
2-[2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169113695
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
2-[(2R,5S)-2-(2,3-dihydro-1-benzofuran-7-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169113499
lithium 2-[(2S,5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetate
CID 164751848
ethyl 2-(5-methyl-2-phenylpiperidin-1-yl)-2-oxoacetate
CID 164994233
2-[2-(2,3-dihydro-1-benzofuran-4-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169114422
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
ethyl 2-[5-methyl-2-(4-methylphenyl)piperidin-1-yl]-2-oxoacetate
CID 169115038

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-methyl-2-thiophen-3-ylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[(2R,5S)-5-methyl-2-thiophen-3-ylpiperidin-1-yl]-2-oxoacetamide (CID 169114365) is 2-[(2R,5S)-5-methyl-2-thiophen-3-ylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[(2R,5S)-5-methyl-2-thiophen-3-ylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[(2R,5S)-5-methyl-2-thiophen-3-ylpiperidin-1-yl]-2-oxoacetamide is C[C@H]1CC[C@H](c2ccsc2)N(C(=O)C(N)=O)C1.
What is the InChIKey of 2-[(2R,5S)-5-methyl-2-thiophen-3-ylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is YUPSPXDRDCGRNI-WCBMZHEXSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8-2-3-10(9-4-5-17-7-9)14(6-8)12(16)11(13)15/h4-5,7-8,10H,2-3,6H2,1H3,(H2,13,15)/t8-,10+/m0/s1.
What are the key properties of 2-[(2R,5S)-5-methyl-2-thiophen-3-ylpiperidin-1-yl]-2-oxoacetamide?
2-[(2R,5S)-5-methyl-2-thiophen-3-ylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 252.34 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-5-methyl-2-thiophen-3-ylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169114365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).