1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone

C17H22N4OS — CID 155900645

IUPAC1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCCC(Cc3nccnc3N)C2)s1
InChIInChI=1S/C17H22N4OS/c1-12-4-5-14(23-12)10-16(22)21-8-2-3-13(11-21)9-15-17(18)20-7-6-19-15/h4-7,13H,2-3,8-11H2,1H3,(H2,18,20)
InChIKeyXRCCZZURYPFYHS-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.45
Rot. Bonds4

About 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone

1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone (PubChem CID 155900645) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
PubChem CID155900645
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCCC(Cc3nccnc3N)C2)s1
InChIInChI=1S/C17H22N4OS/c1-12-4-5-14(23-12)10-16(22)21-8-2-3-13(11-21)9-15-17(18)20-7-6-19-15/h4-7,13H,2-3,8-11H2,1H3,(H2,18,20)
InChIKeyXRCCZZURYPFYHS-UHFFFAOYSA-N
XLogP2.45
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110113166
2-(5-methylthiophen-2-yl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
CID 95273424
1-[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125012200
[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 125010142
1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
CID 110113154
[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125010946
[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124988875
[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 110113168
1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 110119236
1-[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 124980355
1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 124982567
[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 124955017

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone (CID 155900645) is 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone is Cc1ccc(CC(=O)N2CCCC(Cc3nccnc3N)C2)s1.
What is the InChIKey of 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone?
The InChIKey is XRCCZZURYPFYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12-4-5-14(23-12)10-16(22)21-8-2-3-13(11-21)9-15-17(18)20-7-6-19-15/h4-7,13H,2-3,8-11H2,1H3,(H2,18,20).
What are the key properties of 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone?
1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone has a molecular weight of 330.46 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 155900645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).