1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone

C18H21N3O — CID 110255816

IUPAC1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Cc2cncc(-c3ccccc3)n2)C1
InChIInChI=1S/C18H21N3O/c1-14(22)21-9-5-6-15(13-21)10-17-11-19-12-18(20-17)16-7-3-2-4-8-16/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3
InChIKeySEYOMEDAOJQWTH-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.94
Rot. Bonds3

About 1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone

1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 110255816) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
PubChem CID110255816
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Cc2cncc(-c3ccccc3)n2)C1
InChIInChI=1S/C18H21N3O/c1-14(22)21-9-5-6-15(13-21)10-17-11-19-12-18(20-17)16-7-3-2-4-8-16/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3
InChIKeySEYOMEDAOJQWTH-UHFFFAOYSA-N
XLogP2.94
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(6-pyridin-3-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110257442
1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820935
1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95804488
1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 95825281
2-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyrazin-2-yl]-4-fluorobenzoic acid
CID 125020327
1-[(3R)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124970434
1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110102457
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
3-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]methyl]pyrazin-2-yl]benzoic acid
CID 175660541
1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820901
1-[3-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110257663
1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 125024619

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone (CID 110255816) is 1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(Cc2cncc(-c3ccccc3)n2)C1.
What is the InChIKey of 1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is SEYOMEDAOJQWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14(22)21-9-5-6-15(13-21)10-17-11-19-12-18(20-17)16-7-3-2-4-8-16/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3.
What are the key properties of 1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 295.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110255816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).