N-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide

C17H22N6O2 — CID 110095684

IUPACN-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nccnc1C1CCN(C(=O)c2nccn2C)CC1
InChIInChI=1S/C17H22N6O2/c1-12(24)21-11-14-15(19-6-5-18-14)13-3-8-23(9-4-13)17(25)16-20-7-10-22(16)2/h5-7,10,13H,3-4,8-9,11H2,1-2H3,(H,21,24)
InChIKeyBJAYMIMIPIFBGH-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.87
Rot. Bonds4

About N-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide

N-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide (PubChem CID 110095684) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
PubChem CID110095684
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nccnc1C1CCN(C(=O)c2nccn2C)CC1
InChIInChI=1S/C17H22N6O2/c1-12(24)21-11-14-15(19-6-5-18-14)13-3-8-23(9-4-13)17(25)16-20-7-10-22(16)2/h5-7,10,13H,3-4,8-9,11H2,1-2H3,(H,21,24)
InChIKeyBJAYMIMIPIFBGH-UHFFFAOYSA-N
XLogP0.87
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
CID 110095766
N-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
CID 110095660
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-imidazol-1-ylacetamide
CID 110117447
azepan-1-yl-(1-methylimidazol-2-yl)methanone
CID 78994199
1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175662745
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 110117431
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-ethylpyrazole-4-carboxamide
CID 110117445
(2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide
CID 124979644
(1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110096423
[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 70728724
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 114960513

Frequently Asked Questions

What is the IUPAC name of N-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide (CID 110095684) is N-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1nccnc1C1CCN(C(=O)c2nccn2C)CC1.
What is the InChIKey of N-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide?
The InChIKey is BJAYMIMIPIFBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12(24)21-11-14-15(19-6-5-18-14)13-3-8-23(9-4-13)17(25)16-20-7-10-22(16)2/h5-7,10,13H,3-4,8-9,11H2,1-2H3,(H,21,24).
What are the key properties of N-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide?
N-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 110095684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).