1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone

C18H21N3O — CID 95820935

IUPAC1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cncc(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H21N3O/c1-14(22)21-9-7-15(8-10-21)11-17-12-19-13-18(20-17)16-5-3-2-4-6-16/h2-6,12-13,15H,7-11H2,1H3
InChIKeyBBLFUNZSQUUHSY-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.94
Rot. Bonds3

About 1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone

1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 95820935) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
PubChem CID95820935
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cncc(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H21N3O/c1-14(22)21-9-7-15(8-10-21)11-17-12-19-13-18(20-17)16-5-3-2-4-6-16/h2-6,12-13,15H,7-11H2,1H3
InChIKeyBBLFUNZSQUUHSY-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-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110255816
1-[4-[(6-benzylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820834
1-[3-[(6-pyridin-3-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110257442
1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110102457
3-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]methyl]pyrazin-2-yl]benzoic acid
CID 175660541
1-[4-[[6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110102290
1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
CID 95825591
1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 125024619
[4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110100536
1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124949029
2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine
CID 161026783
5-[6-[[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 110120519

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone (CID 95820935) is 1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cc2cncc(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is BBLFUNZSQUUHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14(22)21-9-7-15(8-10-21)11-17-12-19-13-18(20-17)16-5-3-2-4-6-16/h2-6,12-13,15H,7-11H2,1H3.
What are the key properties of 1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
1-[4-[(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-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95820935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).