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

C16H23N5OS — CID 56781106

IUPACN-methyl-N-(thiophen-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCN(Cc1cccs1)C(=O)CN1CCCCC1Cn1cncn1
InChIInChI=1S/C16H23N5OS/c1-19(10-15-6-4-8-23-15)16(22)11-20-7-3-2-5-14(20)9-21-13-17-12-18-21/h4,6,8,12-14H,2-3,5,7,9-11H2,1H3
InChIKeyOYTGXSCEWYGDCP-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.85
Rot. Bonds6

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

N-methyl-N-(thiophen-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 56781106) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-methyl-N-(thiophen-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(thiophen-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID56781106
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-methyl-N-(thiophen-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCN(Cc1cccs1)C(=O)CN1CCCCC1Cn1cncn1
InChIInChI=1S/C16H23N5OS/c1-19(10-15-6-4-8-23-15)16(22)11-20-7-3-2-5-14(20)9-21-13-17-12-18-21/h4,6,8,12-14H,2-3,5,7,9-11H2,1H3
InChIKeyOYTGXSCEWYGDCP-UHFFFAOYSA-N
XLogP1.85
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-Oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-1,2,4-triazole-3-carbonitrile
CID 45803472
3-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 47253181
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
N-(2-thiophen-2-ylethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53617370
N-cyclopropyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 53617762
N-methyl-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 53623444
N-(thiophen-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 53623771

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiophen-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-N-(thiophen-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 56781106) is N-methyl-N-(thiophen-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-(thiophen-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-N-(thiophen-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is CN(Cc1cccs1)C(=O)CN1CCCCC1Cn1cncn1.
What is the InChIKey of N-methyl-N-(thiophen-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is OYTGXSCEWYGDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-19(10-15-6-4-8-23-15)16(22)11-20-7-3-2-5-14(20)9-21-13-17-12-18-21/h4,6,8,12-14H,2-3,5,7,9-11H2,1H3.
What are the key properties of N-methyl-N-(thiophen-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
N-methyl-N-(thiophen-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 333.46 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 56781106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).