N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-imidazol-1-ylacetamide

C17H22N6O2 — CID 110117447

IUPACN-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-imidazol-1-ylacetamide
SMILESCC(=O)N1CCC(c2nccnc2CNC(=O)Cn2ccnc2)CC1
InChIInChI=1S/C17H22N6O2/c1-13(24)23-7-2-14(3-8-23)17-15(19-4-5-20-17)10-21-16(25)11-22-9-6-18-12-22/h4-6,9,12,14H,2-3,7-8,10-11H2,1H3,(H,21,25)
InChIKeyLBCDTHRINAVBHN-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.72
Rot. Bonds5

About N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-imidazol-1-ylacetamide

N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-imidazol-1-ylacetamide (PubChem CID 110117447) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-imidazol-1-ylacetamide
PubChem CID110117447
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-imidazol-1-ylacetamide
SMILESCC(=O)N1CCC(c2nccnc2CNC(=O)Cn2ccnc2)CC1
InChIInChI=1S/C17H22N6O2/c1-13(24)23-7-2-14(3-8-23)17-15(19-4-5-20-17)10-21-16(25)11-22-9-6-18-12-22/h4-6,9,12,14H,2-3,7-8,10-11H2,1H3,(H,21,25)
InChIKeyLBCDTHRINAVBHN-UHFFFAOYSA-N
XLogP0.72
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 110117452
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 110117431
1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175662745
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1-ethylpyrazole-4-carboxamide
CID 110117445
N-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
CID 110095684
N-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
CID 110095766
(2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide
CID 124979644
N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen
CID 177063999
N-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
CID 110095660
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]propanamide
CID 110117449
2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 36795698
2-imidazol-1-yl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide
CID 110117959

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-imidazol-1-ylacetamide?
The IUPAC name of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-imidazol-1-ylacetamide (CID 110117447) is N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-imidazol-1-ylacetamide?
The canonical SMILES for N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-imidazol-1-ylacetamide is CC(=O)N1CCC(c2nccnc2CNC(=O)Cn2ccnc2)CC1.
What is the InChIKey of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-imidazol-1-ylacetamide?
The InChIKey is LBCDTHRINAVBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-13(24)23-7-2-14(3-8-23)17-15(19-4-5-20-17)10-21-16(25)11-22-9-6-18-12-22/h4-6,9,12,14H,2-3,7-8,10-11H2,1H3,(H,21,25).
What are the key properties of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-imidazol-1-ylacetamide?
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-imidazol-1-ylacetamide has a molecular weight of 342.40 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-imidazol-1-ylacetamide is sourced from PubChem (CID 110117447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).