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

C15H21N7O2 — CID 118191266

IUPACN-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCOc1nccc(N2CCC(N(C)C(=O)Cn3cncn3)CC2)n1
InChIInChI=1S/C15H21N7O2/c1-20(14(23)9-22-11-16-10-18-22)12-4-7-21(8-5-12)13-3-6-17-15(19-13)24-2/h3,6,10-12H,4-5,7-9H2,1-2H3
InChIKeyZOQXZFYYYLMKKK-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.20
Rot. Bonds5

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

N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 118191266) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID118191266
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC NameN-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCOc1nccc(N2CCC(N(C)C(=O)Cn3cncn3)CC2)n1
InChIInChI=1S/C15H21N7O2/c1-20(14(23)9-22-11-16-10-18-22)12-4-7-21(8-5-12)13-3-6-17-15(19-13)24-2/h3,6,10-12H,4-5,7-9H2,1-2H3
InChIKeyZOQXZFYYYLMKKK-UHFFFAOYSA-N
XLogP0.20
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-Nitro-1,2,4-triazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 122195190
1-(4-Pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 45809829
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 72142769
4-(Pyrimidin-2-ylamino)-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]butan-1-one
CID 72143064
[(2S)-1-methylpyrrolidin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 131897051
2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-{[1-(2-pyrimidinyl)-3-piperidinyl]methyl}acetamide
CID 45195839
[4-(2-Methoxyethyl)piperidino]([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 53200745
1-(4-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)-2-(1H-pyrazol-1-yl)ethanone
CID 76150617
1-(4-Pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one
CID 110874046
N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)acetamide
CID 134798605
N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)butanamide
CID 134799420
N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)propanamide
CID 134799931

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide (CID 118191266) is N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide is COc1nccc(N2CCC(N(C)C(=O)Cn3cncn3)CC2)n1.
What is the InChIKey of N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is ZOQXZFYYYLMKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-20(14(23)9-22-11-16-10-18-22)12-4-7-21(8-5-12)13-3-6-17-15(19-13)24-2/h3,6,10-12H,4-5,7-9H2,1-2H3.
What are the key properties of N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide?
N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 331.38 g/mol, XLogP of 0.20, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 118191266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).