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

C13H20N4O2 — CID 55155270

IUPAC1-tert-butyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NC2CCCNC2=O)c1=O
InChIInChI=1S/C13H20N4O2/c1-13(2,3)17-8-7-14-10(12(17)19)16-9-5-4-6-15-11(9)18/h7-9H,4-6H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyOOAFWIGXZDBPOO-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.69
Rot. Bonds2

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

1-tert-butyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one (PubChem CID 55155270) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-tert-butyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one
PubChem CID55155270
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-tert-butyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NC2CCCNC2=O)c1=O
InChIInChI=1S/C13H20N4O2/c1-13(2,3)17-8-7-14-10(12(17)19)16-9-5-4-6-15-11(9)18/h7-9H,4-6H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyOOAFWIGXZDBPOO-UHFFFAOYSA-N
XLogP0.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Aminopiperidin-1-yl)-1-ethyl-1,2-dihydropyrazin-2-one
CID 62939070
3-(3-Aminopiperidin-1-yl)-1-methyl-1,2-dihydropyrazin-2-one
CID 62939235
3-(3-Aminopiperidin-1-yl)-1,2-dihydropyrazin-2-one dihydrochloride
CID 86811806
(3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide
CID 97259562
3-(4-Aminopiperidin-1-yl)-1-methyl-1,2-dihydropyrazin-2-one
CID 62938496
3-(3-aminopiperidin-1-yl)pyrazin-2(1H)-one
CID 86811807
3-[4-(4,4-Difluoropyrrolidine-2-carbonyl)piperazin-1-yl]-1-methylpyrazin-2-one;dihydrochloride
CID 120352541
3-[4-(4,4-Difluoropyrrolidine-2-carbonyl)piperazin-1-yl]-1-methylpyrazin-2-one
CID 120352542
3-[[1-Acetyl-6-(trifluoromethyl)piperidin-3-yl]amino]-1-methylpyrazin-2-one
CID 137849881
N-(2,2-difluoroethyl)-2-[1-(4-methyl-3-oxo-3,4-dihydropyrazin-2-yl)piperidin-4-yl]acetamide
CID 175648250
1-(2-Oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one
CID 22969712
3-[(1-Ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one
CID 55130789

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one (CID 55155270) is 1-tert-butyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one is CC(C)(C)n1ccnc(NC2CCCNC2=O)c1=O.
What is the InChIKey of 1-tert-butyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one?
The InChIKey is OOAFWIGXZDBPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)17-8-7-14-10(12(17)19)16-9-5-4-6-15-11(9)18/h7-9H,4-6H2,1-3H3,(H,14,16)(H,15,18).
What are the key properties of 1-tert-butyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one?
1-tert-butyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one is sourced from PubChem (CID 55155270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).