1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one

C14H24N4O — CID 63644296

IUPAC1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one
SMILESCN(c1nccn(C(C)(C)C)c1=O)C1CCCNC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)18-9-8-16-12(13(18)19)17(4)11-6-5-7-15-10-11/h8-9,11,15H,5-7,10H2,1-4H3
InChIKeyZEKAUWPBGGEHBN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.19
Rot. Bonds2

About 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one

1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one (PubChem CID 63644296) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one
PubChem CID63644296
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one
SMILESCN(c1nccn(C(C)(C)C)c1=O)C1CCCNC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)18-9-8-16-12(13(18)19)17(4)11-6-5-7-15-10-11/h8-9,11,15H,5-7,10H2,1-4H3
InChIKeyZEKAUWPBGGEHBN-UHFFFAOYSA-N
XLogP1.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one (CID 63644296) is 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one is CN(c1nccn(C(C)(C)C)c1=O)C1CCCNC1.
What is the InChIKey of 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one?
The InChIKey is ZEKAUWPBGGEHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)18-9-8-16-12(13(18)19)17(4)11-6-5-7-15-10-11/h8-9,11,15H,5-7,10H2,1-4H3.
What are the key properties of 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one?
1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one is sourced from PubChem (CID 63644296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).