[(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone

C19H19N5O — CID 125023182

IUPAC[(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC[C@@H](c2cncc(-c3ncc[nH]3)n2)C1
InChIInChI=1S/C19H19N5O/c25-19(14-5-2-1-3-6-14)24-10-4-7-15(13-24)16-11-20-12-17(23-16)18-21-8-9-22-18/h1-3,5-6,8-9,11-12,15H,4,7,10,13H2,(H,21,22)/t15-/m1/s1
InChIKeyYWIKCSVWPAIYRI-OAHLLOKOSA-N
MW333.39 g/mol
LogP2.89
Rot. Bonds3

About [(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone

[(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 125023182) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is [(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
PubChem CID125023182
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name[(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC[C@@H](c2cncc(-c3ncc[nH]3)n2)C1
InChIInChI=1S/C19H19N5O/c25-19(14-5-2-1-3-6-14)24-10-4-7-15(13-24)16-11-20-12-17(23-16)18-21-8-9-22-18/h1-3,5-6,8-9,11-12,15H,4,7,10,13H2,(H,21,22)/t15-/m1/s1
InChIKeyYWIKCSVWPAIYRI-OAHLLOKOSA-N
XLogP2.89
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 110099957
2-[2-[[(3S)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 124991035
[(3S)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 124976879
[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 125022364
[2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110099796
[(3S)-3-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95815602
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110131923
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95814602

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone (CID 125023182) is [(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC[C@@H](c2cncc(-c3ncc[nH]3)n2)C1.
What is the InChIKey of [(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is YWIKCSVWPAIYRI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(14-5-2-1-3-6-14)24-10-4-7-15(13-24)16-11-20-12-17(23-16)18-21-8-9-22-18/h1-3,5-6,8-9,11-12,15H,4,7,10,13H2,(H,21,22)/t15-/m1/s1.
What are the key properties of [(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
[(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 333.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 125023182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).