1-methyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrazin-2-one

C13H20N4O2 — CID 112695202

IUPAC1-methyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrazin-2-one
SMILESCC(Nc1nccn(C)c1=O)C(=O)N1CCCCC1
InChIInChI=1S/C13H20N4O2/c1-10(12(18)17-7-4-3-5-8-17)15-11-13(19)16(2)9-6-14-11/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,15)
InChIKeyDSDWMORBVOCPKI-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.59
Rot. Bonds3

About 1-methyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrazin-2-one

1-methyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrazin-2-one (PubChem CID 112695202) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-methyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrazin-2-one
PubChem CID112695202
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-methyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrazin-2-one
SMILESCC(Nc1nccn(C)c1=O)C(=O)N1CCCCC1
InChIInChI=1S/C13H20N4O2/c1-10(12(18)17-7-4-3-5-8-17)15-11-13(19)16(2)9-6-14-11/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,15)
InChIKeyDSDWMORBVOCPKI-UHFFFAOYSA-N
XLogP0.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Cyclopentylamino)-1-propyl-1,2-dihydropyrazin-2-one
CID 53015089
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
3-(4-Aminopiperidin-1-yl)-1-methyl-1,2-dihydropyrazin-2-one dihydrochloride
CID 86811808
3-[(Propan-2-yl)amino]-1-propyl-1,2-dihydropyrazin-2-one
CID 53015090
1-(Propan-2-yl)-3-(propylamino)-1,2-dihydropyrazin-2-one
CID 53015093
3-(cyclohexylamino)-1-ethyl-2(1H)-pyrazinone
CID 53015097
3-(Cyclopentylamino)-1-ethyl-1,2-dihydropyrazin-2-one
CID 53015099
3-(Cyclopentylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 53015104
1-Ethyl-3-(piperidin-1-YL)-1,2-dihydropyrazin-2-one
CID 53015072
3-(Cycloheptylamino)-1-ethyl-1,2-dihydropyrazin-2-one
CID 53015096

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrazin-2-one (CID 112695202) is 1-methyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrazin-2-one is CC(Nc1nccn(C)c1=O)C(=O)N1CCCCC1.
What is the InChIKey of 1-methyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrazin-2-one?
The InChIKey is DSDWMORBVOCPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(12(18)17-7-4-3-5-8-17)15-11-13(19)16(2)9-6-14-11/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,15).
What are the key properties of 1-methyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrazin-2-one?
1-methyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrazin-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrazin-2-one is sourced from PubChem (CID 112695202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).