[3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone

C20H21N5O — CID 110099957

IUPAC[3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
SMILESCn1ccnc1-c1cncc(C2CCCN(C(=O)c3ccccc3)C2)n1
InChIInChI=1S/C20H21N5O/c1-24-11-9-22-19(24)18-13-21-12-17(23-18)16-8-5-10-25(14-16)20(26)15-6-3-2-4-7-15/h2-4,6-7,9,11-13,16H,5,8,10,14H2,1H3
InChIKeyYBKLNAWWIWWWPG-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.90
Rot. Bonds3

About [3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone

[3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 110099957) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is [3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
PubChem CID110099957
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name[3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
SMILESCn1ccnc1-c1cncc(C2CCCN(C(=O)c3ccccc3)C2)n1
InChIInChI=1S/C20H21N5O/c1-24-11-9-22-19(24)18-13-21-12-17(23-18)16-8-5-10-25(14-16)20(26)15-6-3-2-4-7-15/h2-4,6-7,9,11-13,16H,5,8,10,14H2,1H3
InChIKeyYBKLNAWWIWWWPG-UHFFFAOYSA-N
XLogP2.90
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 124976879
[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(3S)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 124980585
[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110152298
[(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 125023182
[(3S)-3-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95815602
2-[(3R)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]ethanol
CID 124989098
[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95814602
[(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95814604
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
[3-[6-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110110209
[3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110095314
[(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 125021197

Frequently Asked Questions

What is the IUPAC name of [3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone (CID 110099957) is [3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone is Cn1ccnc1-c1cncc(C2CCCN(C(=O)c3ccccc3)C2)n1.
What is the InChIKey of [3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is YBKLNAWWIWWWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-24-11-9-22-19(24)18-13-21-12-17(23-18)16-8-5-10-25(14-16)20(26)15-6-3-2-4-7-15/h2-4,6-7,9,11-13,16H,5,8,10,14H2,1H3.
What are the key properties of [3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
[3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 347.42 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 110099957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).