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

C16H23N5OS — CID 56780600

IUPACN-(1-thiophen-2-ylethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCCCC1Cn1cncn1)c1cccs1
InChIInChI=1S/C16H23N5OS/c1-13(15-6-4-8-23-15)19-16(22)10-20-7-3-2-5-14(20)9-21-12-17-11-18-21/h4,6,8,11-14H,2-3,5,7,9-10H2,1H3,(H,19,22)
InChIKeyLYMRGEFVCNADDL-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.07
Rot. Bonds6

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

N-(1-thiophen-2-ylethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 56780600) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(1-thiophen-2-ylethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID56780600
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-(1-thiophen-2-ylethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCCCC1Cn1cncn1)c1cccs1
InChIInChI=1S/C16H23N5OS/c1-13(15-6-4-8-23-15)19-16(22)10-20-7-3-2-5-14(20)9-21-12-17-11-18-21/h4,6,8,11-14H,2-3,5,7,9-10H2,1H3,(H,19,22)
InChIKeyLYMRGEFVCNADDL-UHFFFAOYSA-N
XLogP2.07
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 1440820
US10167299, Example 2
CID 118219301
N-(2-phenylsulfanylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 42891631
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-thiophen-2-ylethyl)urea
CID 47220467
3-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 47253181
2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 53571123
N-methyl-N-(thiophen-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53579401
N-(2-thiophen-3-ylethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53580399
N-[(5-methylthiophen-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53596697
N-methyl-N-(thiophen-2-ylmethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53606460
N-[(5-methylthiophen-2-yl)methyl]-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53609603
N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 53614289

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(1-thiophen-2-ylethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 56780600) is N-(1-thiophen-2-ylethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-thiophen-2-ylethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-thiophen-2-ylethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is CC(NC(=O)CN1CCCCC1Cn1cncn1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is LYMRGEFVCNADDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-13(15-6-4-8-23-15)19-16(22)10-20-7-3-2-5-14(20)9-21-12-17-11-18-21/h4,6,8,11-14H,2-3,5,7,9-10H2,1H3,(H,19,22).
What are the key properties of N-(1-thiophen-2-ylethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
N-(1-thiophen-2-ylethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 333.46 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 56780600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).