1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone

C12H18N4O — CID 175662745

IUPAC1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nccnc2CN)CC1
InChIInChI=1S/C12H18N4O/c1-9(17)16-6-2-10(3-7-16)12-11(8-13)14-4-5-15-12/h4-5,10H,2-3,6-8,13H2,1H3
InChIKeyQBFHSKMTTUCVNM-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.66
Rot. Bonds2

About 1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone

1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 175662745) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID175662745
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nccnc2CN)CC1
InChIInChI=1S/C12H18N4O/c1-9(17)16-6-2-10(3-7-16)12-11(8-13)14-4-5-15-12/h4-5,10H,2-3,6-8,13H2,1H3
InChIKeyQBFHSKMTTUCVNM-UHFFFAOYSA-N
XLogP0.66
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-imidazol-1-ylacetamide
CID 110117447
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 110117431
1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95842023
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1-ethylpyrazole-4-carboxamide
CID 110117445
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 110117452
1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821913
1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110131717
1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821995
N-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
CID 110095684
[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110116957
N-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
CID 110095766
1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95825744

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 175662745) is 1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nccnc2CN)CC1.
What is the InChIKey of 1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is QBFHSKMTTUCVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9(17)16-6-2-10(3-7-16)12-11(8-13)14-4-5-15-12/h4-5,10H,2-3,6-8,13H2,1H3.
What are the key properties of 1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 234.30 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 175662745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).