1-tert-butyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one

C16H28N4O — CID 79704882

IUPAC1-tert-butyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one
SMILESCCN(CC1CCNCC1)c1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C16H28N4O/c1-5-19(12-13-6-8-17-9-7-13)14-15(21)20(11-10-18-14)16(2,3)4/h10-11,13,17H,5-9,12H2,1-4H3
InChIKeyRARAVVSCJZSZIJ-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.82
Rot. Bonds4

About 1-tert-butyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one

1-tert-butyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one (PubChem CID 79704882) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-tert-butyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one
PubChem CID79704882
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-tert-butyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one
SMILESCCN(CC1CCNCC1)c1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C16H28N4O/c1-5-19(12-13-6-8-17-9-7-13)14-15(21)20(11-10-18-14)16(2,3)4/h10-11,13,17H,5-9,12H2,1-4H3
InChIKeyRARAVVSCJZSZIJ-UHFFFAOYSA-N
XLogP1.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.82
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-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one (CID 79704882) is 1-tert-butyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one is CCN(CC1CCNCC1)c1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 1-tert-butyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one?
The InChIKey is RARAVVSCJZSZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-19(12-13-6-8-17-9-7-13)14-15(21)20(11-10-18-14)16(2,3)4/h10-11,13,17H,5-9,12H2,1-4H3.
What are the key properties of 1-tert-butyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one?
1-tert-butyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one has a molecular weight of 292.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one is sourced from PubChem (CID 79704882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).