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

C15H21N5OS — CID 132971145

IUPACN-(1-thiophen-2-ylethyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCCCC1c1ncn[nH]1)c1cccs1
InChIInChI=1S/C15H21N5OS/c1-11(13-6-4-8-22-13)18-14(21)9-20-7-3-2-5-12(20)15-16-10-17-19-15/h4,6,8,10-12H,2-3,5,7,9H2,1H3,(H,18,21)(H,16,17,19)
InChIKeyHGCCTZKFFROLNT-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.27
Rot. Bonds5

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

N-(1-thiophen-2-ylethyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 132971145) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(1-thiophen-2-ylethyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylethyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
PubChem CID132971145
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-(1-thiophen-2-ylethyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCCCC1c1ncn[nH]1)c1cccs1
InChIInChI=1S/C15H21N5OS/c1-11(13-6-4-8-22-13)18-14(21)9-20-7-3-2-5-12(20)15-16-10-17-19-15/h4,6,8,10-12H,2-3,5,7,9H2,1H3,(H,18,21)(H,16,17,19)
InChIKeyHGCCTZKFFROLNT-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129340562
N-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 126799165
N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 97253484
N-(2,6-difluorophenyl)-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide
CID 136585664
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119928547
2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 128965274
N-[(1S)-1-thiophen-2-ylethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 40701155
N-[(1R)-1-thiophen-2-ylethyl]-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129429028
2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95609320
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 62673320
2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 63872915

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylethyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(1-thiophen-2-ylethyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide (CID 132971145) is N-(1-thiophen-2-ylethyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-thiophen-2-ylethyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-thiophen-2-ylethyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide is CC(NC(=O)CN1CCCCC1c1ncn[nH]1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylethyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is HGCCTZKFFROLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11(13-6-4-8-22-13)18-14(21)9-20-7-3-2-5-12(20)15-16-10-17-19-15/h4,6,8,10-12H,2-3,5,7,9H2,1H3,(H,18,21)(H,16,17,19).
What are the key properties of N-(1-thiophen-2-ylethyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
N-(1-thiophen-2-ylethyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylethyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 132971145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).