2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C14H22N2OS — CID 27068240

IUPAC2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESC[C@@H]1C[C@H](C)CN(CC(=O)NCc2cccs2)C1
InChIInChI=1S/C14H22N2OS/c1-11-6-12(2)9-16(8-11)10-14(17)15-7-13-4-3-5-18-13/h3-5,11-12H,6-10H2,1-2H3,(H,15,17)/t11-,12+
InChIKeyUEXSIJPREPRYRH-TXEJJXNPSA-N
MW266.41 g/mol
LogP2.34
Rot. Bonds4

About 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 27068240) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID27068240
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESC[C@@H]1C[C@H](C)CN(CC(=O)NCc2cccs2)C1
InChIInChI=1S/C14H22N2OS/c1-11-6-12(2)9-16(8-11)10-14(17)15-7-13-4-3-5-18-13/h3-5,11-12H,6-10H2,1-2H3,(H,15,17)/t11-,12+
InChIKeyUEXSIJPREPRYRH-TXEJJXNPSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 65448842
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9248959
2-[(3aS,5R,6R,7aR)-5-acetamido-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 172656051
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
2-[(3R)-3-methylpiperidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9275407
2-[4-(fluoromethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 171701259
2-[(3S)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-propylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 96535726
2-[(3R)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-propylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 96535725
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 114779811
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 62357149
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119927713
2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 97186385

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 27068240) is 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is C[C@@H]1C[C@H](C)CN(CC(=O)NCc2cccs2)C1.
What is the InChIKey of 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is UEXSIJPREPRYRH-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11-6-12(2)9-16(8-11)10-14(17)15-7-13-4-3-5-18-13/h3-5,11-12H,6-10H2,1-2H3,(H,15,17)/t11-,12+.
What are the key properties of 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 266.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 27068240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).