3-[(1-ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one

C12H20N4O — CID 55130789

IUPAC3-[(1-ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one
SMILESCCN1CCC(Nc2nccn(C)c2=O)CC1
InChIInChI=1S/C12H20N4O/c1-3-16-7-4-10(5-8-16)14-11-12(17)15(2)9-6-13-11/h6,9-10H,3-5,7-8H2,1-2H3,(H,13,14)
InChIKeyZURSAXSUQVDCKI-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.68
Rot. Bonds3

About 3-[(1-ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one

3-[(1-ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one (PubChem CID 55130789) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one
PubChem CID55130789
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[(1-ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one
SMILESCCN1CCC(Nc2nccn(C)c2=O)CC1
InChIInChI=1S/C12H20N4O/c1-3-16-7-4-10(5-8-16)14-11-12(17)15(2)9-6-13-11/h6,9-10H,3-5,7-8H2,1-2H3,(H,13,14)
InChIKeyZURSAXSUQVDCKI-UHFFFAOYSA-N
XLogP0.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(1-ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one (CID 55130789) is 3-[(1-ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(1-ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(1-ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one is CCN1CCC(Nc2nccn(C)c2=O)CC1.
What is the InChIKey of 3-[(1-ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one?
The InChIKey is ZURSAXSUQVDCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-16-7-4-10(5-8-16)14-11-12(17)15(2)9-6-13-11/h6,9-10H,3-5,7-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[(1-ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one?
3-[(1-ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 55130789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).