N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide

C16H25N3O3S — CID 124878292

IUPACN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
SMILESCN(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](CO)C1)c1cccs1
InChIInChI=1S/C16H25N3O3S/c1-18(2)13(14-6-4-8-23-14)9-17-15(21)16(22)19-7-3-5-12(10-19)11-20/h4,6,8,12-13,20H,3,5,7,9-11H2,1-2H3,(H,17,21)/t12-,13+/m0/s1
InChIKeyXWPTWFNBZQJLHZ-QWHCGFSZSA-N
MW339.46 g/mol
LogP0.70
Rot. Bonds5

About N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 124878292) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
PubChem CID124878292
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
SMILESCN(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](CO)C1)c1cccs1
InChIInChI=1S/C16H25N3O3S/c1-18(2)13(14-6-4-8-23-14)9-17-15(21)16(22)19-7-3-5-12(10-19)11-20/h4,6,8,12-13,20H,3,5,7,9-11H2,1-2H3,(H,17,21)/t12-,13+/m0/s1
InChIKeyXWPTWFNBZQJLHZ-QWHCGFSZSA-N
XLogP0.70
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 46522897
N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
CID 30834974
4-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide
CID 94029999
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 43422177
(3R)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96997784
3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 134056824
(3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 51952463
1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 97062251
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone
CID 43223422
1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 30834300
[(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol
CID 98084280

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide (CID 124878292) is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide is CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](CO)C1)c1cccs1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is XWPTWFNBZQJLHZ-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-18(2)13(14-6-4-8-23-14)9-17-15(21)16(22)19-7-3-5-12(10-19)11-20/h4,6,8,12-13,20H,3,5,7,9-11H2,1-2H3,(H,17,21)/t12-,13+/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide?
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 339.46 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 124878292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).