2,2-dimethyl-1-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one

C14H21N3O — CID 95843128

IUPAC2,2-dimethyl-1-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCCC[C@H]1c1cnccn1
InChIInChI=1S/C14H21N3O/c1-14(2,3)13(18)17-9-5-4-6-12(17)11-10-15-7-8-16-11/h7-8,10,12H,4-6,9H2,1-3H3/t12-/m0/s1
InChIKeyHYYLVYDWEIPOAG-LBPRGKRZSA-N
MW247.34 g/mol
LogP2.58
Rot. Bonds1

About 2,2-dimethyl-1-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one

2,2-dimethyl-1-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one (PubChem CID 95843128) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one
PubChem CID95843128
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2,2-dimethyl-1-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCCC[C@H]1c1cnccn1
InChIInChI=1S/C14H21N3O/c1-14(2,3)13(18)17-9-5-4-6-12(17)11-10-15-7-8-16-11/h7-8,10,12H,4-6,9H2,1-3H3/t12-/m0/s1
InChIKeyHYYLVYDWEIPOAG-LBPRGKRZSA-N
XLogP2.58
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[(2R)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one
CID 95843127
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
1-(2-pyrazin-2-ylpyrrolidin-1-yl)propan-1-one
CID 73439555
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
CID 92551768
2,2-dimethyl-1-[(2S)-2-[6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 124982865
5-[6-[1-(2,2-dimethylpropanoyl)piperidin-2-yl]-2-methylpyrimidin-4-yl]pyridine-3-carboxylic acid
CID 110120507
[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95841727
(6-methoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124968333
2-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]ethanol
CID 95842061
1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 84606143
2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 125008264

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one (CID 95843128) is 2,2-dimethyl-1-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCCC[C@H]1c1cnccn1.
What is the InChIKey of 2,2-dimethyl-1-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one?
The InChIKey is HYYLVYDWEIPOAG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,3)13(18)17-9-5-4-6-12(17)11-10-15-7-8-16-11/h7-8,10,12H,4-6,9H2,1-3H3/t12-/m0/s1.
What are the key properties of 2,2-dimethyl-1-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 95843128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).