1-[4-[(5-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone

C15H19N5O — CID 95825000

IUPAC1-[4-[(5-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cnc(-n3ccnc3)cn2)CC1
InChIInChI=1S/C15H19N5O/c1-12(21)19-5-2-13(3-6-19)8-14-9-18-15(10-17-14)20-7-4-16-11-20/h4,7,9-11,13H,2-3,5-6,8H2,1H3
InChIKeyVNJNLRKBXBDWGA-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.46
Rot. Bonds3

About 1-[4-[(5-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone

1-[4-[(5-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 95825000) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[4-[(5-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
PubChem CID95825000
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[4-[(5-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cnc(-n3ccnc3)cn2)CC1
InChIInChI=1S/C15H19N5O/c1-12(21)19-5-2-13(3-6-19)8-14-9-18-15(10-17-14)20-7-4-16-11-20/h4,7,9-11,13H,2-3,5-6,8H2,1H3
InChIKeyVNJNLRKBXBDWGA-UHFFFAOYSA-N
XLogP1.46
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-2-oxoethyl)pyrazine
CID 70784999
2-Imidazol-1-yl-6-piperidin-4-ylpyrazine
CID 95804707
1-[4-[3-(2-Ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 95810958
1-[4-[6-(2-Ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 95815633
1-[4-[3-(Pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821990
1-[4-[[5-(Pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 95823803
1-[4-[6-(Azepan-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95824988
N-[(1-methylimidazol-2-yl)methyl]-5-(1-methylpiperidin-4-yl)pyrazin-2-amine
CID 95825616
2-Imidazol-1-yl-5-piperidin-4-ylpyrazine
CID 95846357
2-(1-Cyclopentylpiperidin-3-yl)-3-(2-methylimidazol-1-yl)pyrazine
CID 110250031
2-(2-Methylimidazol-1-yl)-3-(1-methylpiperidin-3-yl)pyrazine
CID 110250038
1-[3-[3-(2-Ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110250085

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone (CID 95825000) is 1-[4-[(5-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cc2cnc(-n3ccnc3)cn2)CC1.
What is the InChIKey of 1-[4-[(5-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is VNJNLRKBXBDWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-12(21)19-5-2-13(3-6-19)8-14-9-18-15(10-17-14)20-7-4-16-11-20/h4,7,9-11,13H,2-3,5-6,8H2,1H3.
What are the key properties of 1-[4-[(5-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
1-[4-[(5-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95825000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).