1-methyl-3-(2-piperidin-3-ylethylamino)pyrazin-2-one

C12H20N4O — CID 55247451

IUPAC1-methyl-3-(2-piperidin-3-ylethylamino)pyrazin-2-one
SMILESCn1ccnc(NCCC2CCCNC2)c1=O
InChIInChI=1S/C12H20N4O/c1-16-8-7-15-11(12(16)17)14-6-4-10-3-2-5-13-9-10/h7-8,10,13H,2-6,9H2,1H3,(H,14,15)
InChIKeyDZNJLAKYCKKWHG-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.58
Rot. Bonds4

About 1-methyl-3-(2-piperidin-3-ylethylamino)pyrazin-2-one

1-methyl-3-(2-piperidin-3-ylethylamino)pyrazin-2-one (PubChem CID 55247451) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-methyl-3-(2-piperidin-3-ylethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-piperidin-3-ylethylamino)pyrazin-2-one
PubChem CID55247451
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-methyl-3-(2-piperidin-3-ylethylamino)pyrazin-2-one
SMILESCn1ccnc(NCCC2CCCNC2)c1=O
InChIInChI=1S/C12H20N4O/c1-16-8-7-15-11(12(16)17)14-6-4-10-3-2-5-13-9-10/h7-8,10,13H,2-6,9H2,1H3,(H,14,15)
InChIKeyDZNJLAKYCKKWHG-UHFFFAOYSA-N
XLogP0.58
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-piperidin-3-ylethylamino)pyrazin-2-one?
The IUPAC name of 1-methyl-3-(2-piperidin-3-ylethylamino)pyrazin-2-one (CID 55247451) is 1-methyl-3-(2-piperidin-3-ylethylamino)pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-(2-piperidin-3-ylethylamino)pyrazin-2-one?
The canonical SMILES for 1-methyl-3-(2-piperidin-3-ylethylamino)pyrazin-2-one is Cn1ccnc(NCCC2CCCNC2)c1=O.
What is the InChIKey of 1-methyl-3-(2-piperidin-3-ylethylamino)pyrazin-2-one?
The InChIKey is DZNJLAKYCKKWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16-8-7-15-11(12(16)17)14-6-4-10-3-2-5-13-9-10/h7-8,10,13H,2-6,9H2,1H3,(H,14,15).
What are the key properties of 1-methyl-3-(2-piperidin-3-ylethylamino)pyrazin-2-one?
1-methyl-3-(2-piperidin-3-ylethylamino)pyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-piperidin-3-ylethylamino)pyrazin-2-one is sourced from PubChem (CID 55247451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).