2-cyano-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methyl]acetamide

C14H20N6O2 — CID 155964363

IUPAC2-cyano-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methyl]acetamide
SMILESCC1CCN(C(=O)Cn2cc(CNC(=O)CC#N)nn2)CC1
InChIInChI=1S/C14H20N6O2/c1-11-3-6-19(7-4-11)14(22)10-20-9-12(17-18-20)8-16-13(21)2-5-15/h9,11H,2-4,6-8,10H2,1H3,(H,16,21)
InChIKeyDKSNXRUSIKSLEO-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.07
Rot. Bonds5

About 2-cyano-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methyl]acetamide

2-cyano-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methyl]acetamide (PubChem CID 155964363) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-cyano-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methyl]acetamide
PubChem CID155964363
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name2-cyano-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methyl]acetamide
SMILESCC1CCN(C(=O)Cn2cc(CNC(=O)CC#N)nn2)CC1
InChIInChI=1S/C14H20N6O2/c1-11-3-6-19(7-4-11)14(22)10-20-9-12(17-18-20)8-16-13(21)2-5-15/h9,11H,2-4,6-8,10H2,1H3,(H,16,21)
InChIKeyDKSNXRUSIKSLEO-UHFFFAOYSA-N
XLogP0.07
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(tert-butylamino)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 66191870
2-[4-(methylaminomethyl)triazol-1-yl]-1-morpholin-4-ylethanone
CID 66215849
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 171133252
1-(azocan-1-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethanone
CID 66192997
1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone
CID 66192663
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide
CID 115458891
2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 115459483
methyl 2-[4-[[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]triazol-1-yl]acetate
CID 119999867
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 66213840
2-[4-(3-aminopropyl)triazol-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 106220969
1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289534
2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone
CID 66206840

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methyl]acetamide (CID 155964363) is 2-cyano-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methyl]acetamide is CC1CCN(C(=O)Cn2cc(CNC(=O)CC#N)nn2)CC1.
What is the InChIKey of 2-cyano-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methyl]acetamide?
The InChIKey is DKSNXRUSIKSLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-11-3-6-19(7-4-11)14(22)10-20-9-12(17-18-20)8-16-13(21)2-5-15/h9,11H,2-4,6-8,10H2,1H3,(H,16,21).
What are the key properties of 2-cyano-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methyl]acetamide?
2-cyano-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methyl]acetamide has a molecular weight of 304.35 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 155964363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).