1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one

C13H20N4O — CID 62761838

IUPAC1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one
SMILESCC(NCc1cnccn1)C(=O)N1CCCCC1
InChIInChI=1S/C13H20N4O/c1-11(13(18)17-7-3-2-4-8-17)16-10-12-9-14-5-6-15-12/h5-6,9,11,16H,2-4,7-8,10H2,1H3
InChIKeyOOCJCVWZTOSHMP-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.97
Rot. Bonds4

About 1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one

1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one (PubChem CID 62761838) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one
PubChem CID62761838
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one
SMILESCC(NCc1cnccn1)C(=O)N1CCCCC1
InChIInChI=1S/C13H20N4O/c1-11(13(18)17-7-3-2-4-8-17)16-10-12-9-14-5-6-15-12/h5-6,9,11,16H,2-4,7-8,10H2,1H3
InChIKeyOOCJCVWZTOSHMP-UHFFFAOYSA-N
XLogP0.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113384058
1-(azepan-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one
CID 104589380
2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 106832007
2-(1-pyrazin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 112551234
2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083640
2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62997460
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 104878840
2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 104797141
2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 106417708
N-ethyl-N-methyl-2-(pyrazin-2-ylmethylamino)propanamide
CID 103107971
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 115592259
1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one
CID 66130168

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one?
The IUPAC name of 1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one (CID 62761838) is 1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one is CC(NCc1cnccn1)C(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one?
The InChIKey is OOCJCVWZTOSHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-11(13(18)17-7-3-2-4-8-17)16-10-12-9-14-5-6-15-12/h5-6,9,11,16H,2-4,7-8,10H2,1H3.
What are the key properties of 1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one?
1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one has a molecular weight of 248.33 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one is sourced from PubChem (CID 62761838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).