2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C15H21N5OS — CID 91828374

IUPAC2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1nc(C2CCCN(CC(=O)NCc3cccs3)C2)n[nH]1
InChIInChI=1S/C15H21N5OS/c1-11-17-15(19-18-11)12-4-2-6-20(9-12)10-14(21)16-8-13-5-3-7-22-13/h3,5,7,12H,2,4,6,8-10H2,1H3,(H,16,21)(H,17,18,19)
InChIKeyITLCSKNNSABIHM-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.67
Rot. Bonds5

About 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 91828374) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID91828374
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1nc(C2CCCN(CC(=O)NCc3cccs3)C2)n[nH]1
InChIInChI=1S/C15H21N5OS/c1-11-17-15(19-18-11)12-4-2-6-20(9-12)10-14(21)16-8-13-5-3-7-22-13/h3,5,7,12H,2,4,6,8-10H2,1H3,(H,16,21)(H,17,18,19)
InChIKeyITLCSKNNSABIHM-UHFFFAOYSA-N
XLogP1.67
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 62357149
N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 124752097
2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 65448842
2-[(3R)-3-methylpiperidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9275407
2-[2-(4-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 42946126
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119927713
2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 36899945
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 47012786
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27068240
2-[(3R)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-propylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 96535725
2-[(3S)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-propylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 96535726

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 91828374) is 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is Cc1nc(C2CCCN(CC(=O)NCc3cccs3)C2)n[nH]1.
What is the InChIKey of 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ITLCSKNNSABIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11-17-15(19-18-11)12-4-2-6-20(9-12)10-14(21)16-8-13-5-3-7-22-13/h3,5,7,12H,2,4,6,8-10H2,1H3,(H,16,21)(H,17,18,19).
What are the key properties of 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 91828374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).