1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one

C10H14N4O2 — CID 63660882

IUPAC1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one
SMILESCn1ccnc(NC2CCC(=O)NC2)c1=O
InChIInChI=1S/C10H14N4O2/c1-14-5-4-11-9(10(14)16)13-7-2-3-8(15)12-6-7/h4-5,7H,2-3,6H2,1H3,(H,11,13)(H,12,15)
InChIKeyOTKMGTDTEQRRNT-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.53
Rot. Bonds2

About 1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one

1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one (PubChem CID 63660882) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one
PubChem CID63660882
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one
SMILESCn1ccnc(NC2CCC(=O)NC2)c1=O
InChIInChI=1S/C10H14N4O2/c1-14-5-4-11-9(10(14)16)13-7-2-3-8(15)12-6-7/h4-5,7H,2-3,6H2,1H3,(H,11,13)(H,12,15)
InChIKeyOTKMGTDTEQRRNT-UHFFFAOYSA-N
XLogP-0.53
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one
CID 63661414
1-methyl-3-(oxan-3-ylamino)pyrazin-2-one
CID 63363573
5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one
CID 106875729
4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide
CID 55130606
3-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 63042240
5-[(5-methylpyrimidin-2-yl)amino]piperidin-2-one
CID 63663569
3-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylpyrazin-2-one
CID 62940976
2-[4-[(4-methyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetonitrile
CID 63625920
3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one
CID 94896988
5-[(3-propoxy-2-pyridinyl)amino]piperidin-2-one
CID 113370927
5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one
CID 80834053
4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 115624182

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one (CID 63660882) is 1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one is Cn1ccnc(NC2CCC(=O)NC2)c1=O.
What is the InChIKey of 1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one?
The InChIKey is OTKMGTDTEQRRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-14-5-4-11-9(10(14)16)13-7-2-3-8(15)12-6-7/h4-5,7H,2-3,6H2,1H3,(H,11,13)(H,12,15).
What are the key properties of 1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one?
1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one has a molecular weight of 222.25 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one is sourced from PubChem (CID 63660882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).