3-(3-aminopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one

C12H20N4O — CID 62928138

IUPAC3-(3-aminopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N2CCCC(N)C2)c1=O
InChIInChI=1S/C12H20N4O/c1-9(2)16-7-5-14-11(12(16)17)15-6-3-4-10(13)8-15/h5,7,9-10H,3-4,6,8,13H2,1-2H3
InChIKeyFPLHGJKRBRHRRL-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.75
Rot. Bonds2

About 3-(3-aminopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one

3-(3-aminopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one (PubChem CID 62928138) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(3-aminopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-(3-aminopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one
PubChem CID62928138
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-(3-aminopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N2CCCC(N)C2)c1=O
InChIInChI=1S/C12H20N4O/c1-9(2)16-7-5-14-11(12(16)17)15-6-3-4-10(13)8-15/h5,7,9-10H,3-4,6,8,13H2,1-2H3
InChIKeyFPLHGJKRBRHRRL-UHFFFAOYSA-N
XLogP0.75
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-(3-aminopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one (CID 62928138) is 3-(3-aminopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-(3-aminopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-(3-aminopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(N2CCCC(N)C2)c1=O.
What is the InChIKey of 3-(3-aminopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one?
The InChIKey is FPLHGJKRBRHRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)16-7-5-14-11(12(16)17)15-6-3-4-10(13)8-15/h5,7,9-10H,3-4,6,8,13H2,1-2H3.
What are the key properties of 3-(3-aminopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one?
3-(3-aminopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 62928138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).