2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one

C13H20N4O — CID 125437337

IUPAC2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC[C@@H](Nc2cnccn2)C1
InChIInChI=1S/C13H20N4O/c1-10(2)13(18)17-7-3-4-11(9-17)16-12-8-14-5-6-15-12/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyZCFSTODKNHYPLB-LLVKDONJSA-N
MW248.33 g/mol
LogP1.54
Rot. Bonds3

About 2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one

2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one (PubChem CID 125437337) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one
PubChem CID125437337
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC[C@@H](Nc2cnccn2)C1
InChIInChI=1S/C13H20N4O/c1-10(2)13(18)17-7-3-4-11(9-17)16-12-8-14-5-6-15-12/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyZCFSTODKNHYPLB-LLVKDONJSA-N
XLogP1.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[(3S)-3-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propan-1-one
CID 95823746
prop-1-en-2-yl (3R)-3-(pyrazin-2-ylamino)pyrrolidine-1-carboxylate
CID 89068665
2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone
CID 167905138
2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822153
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
2-methyl-1-[3-[(4-methyl-2-pyridinyl)amino]azetidin-1-yl]propan-1-one
CID 90245415
3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
CID 63044232
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone
CID 124690900
2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110256025
2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one
CID 102612429
1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one
CID 122258285
N-pyrazin-2-ylpyrrolidine-1-carboxamide
CID 110492109

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one (CID 125437337) is 2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC[C@@H](Nc2cnccn2)C1.
What is the InChIKey of 2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one?
The InChIKey is ZCFSTODKNHYPLB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(2)13(18)17-7-3-4-11(9-17)16-12-8-14-5-6-15-12/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of 2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one?
2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 125437337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).