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

C19H23N3O — CID 95820834

IUPAC1-[4-[(6-benzylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cncc(Cc3ccccc3)n2)CC1
InChIInChI=1S/C19H23N3O/c1-15(23)22-9-7-17(8-10-22)12-19-14-20-13-18(21-19)11-16-5-3-2-4-6-16/h2-6,13-14,17H,7-12H2,1H3
InChIKeyBUPMJJAEALQKNC-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.87
Rot. Bonds4

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

1-[4-[(6-benzylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 95820834) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[4-[(6-benzylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(6-benzylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
PubChem CID95820834
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-[4-[(6-benzylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cncc(Cc3ccccc3)n2)CC1
InChIInChI=1S/C19H23N3O/c1-15(23)22-9-7-17(8-10-22)12-19-14-20-13-18(21-19)11-16-5-3-2-4-6-16/h2-6,13-14,17H,7-12H2,1H3
InChIKeyBUPMJJAEALQKNC-UHFFFAOYSA-N
XLogP2.87
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820935
(4S)-3-[6-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-benzyl-1,3-oxazolidin-2-one
CID 125020370
1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110255816
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196158
1-[4-[[6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110102290
[4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110100536
1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 125024619
N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide
CID 110095519
1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
CID 95825591
1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95804488
1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124949029

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-benzylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(6-benzylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone (CID 95820834) is 1-[4-[(6-benzylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(6-benzylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(6-benzylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cc2cncc(Cc3ccccc3)n2)CC1.
What is the InChIKey of 1-[4-[(6-benzylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is BUPMJJAEALQKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15(23)22-9-7-17(8-10-22)12-19-14-20-13-18(21-19)11-16-5-3-2-4-6-16/h2-6,13-14,17H,7-12H2,1H3.
What are the key properties of 1-[4-[(6-benzylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
1-[4-[(6-benzylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 309.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-benzylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95820834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).