1-methyl-3-(piperidin-2-ylmethylamino)pyrazin-2-one

C11H18N4O — CID 62939407

IUPAC1-methyl-3-(piperidin-2-ylmethylamino)pyrazin-2-one
SMILESCn1ccnc(NCC2CCCCN2)c1=O
InChIInChI=1S/C11H18N4O/c1-15-7-6-13-10(11(15)16)14-8-9-4-2-3-5-12-9/h6-7,9,12H,2-5,8H2,1H3,(H,13,14)
InChIKeyJSGAZQLKXOLENM-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.33
Rot. Bonds3

About 1-methyl-3-(piperidin-2-ylmethylamino)pyrazin-2-one

1-methyl-3-(piperidin-2-ylmethylamino)pyrazin-2-one (PubChem CID 62939407) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-methyl-3-(piperidin-2-ylmethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(piperidin-2-ylmethylamino)pyrazin-2-one
PubChem CID62939407
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-methyl-3-(piperidin-2-ylmethylamino)pyrazin-2-one
SMILESCn1ccnc(NCC2CCCCN2)c1=O
InChIInChI=1S/C11H18N4O/c1-15-7-6-13-10(11(15)16)14-8-9-4-2-3-5-12-9/h6-7,9,12H,2-5,8H2,1H3,(H,13,14)
InChIKeyJSGAZQLKXOLENM-UHFFFAOYSA-N
XLogP0.33
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclohexylmethylamino)-1-methylpyrazin-2-one
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1-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]pyrazin-2-one
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1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one
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N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazol-2-amine
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1-methyl-3-(2-piperazin-1-ylethylamino)pyrazin-2-one
CID 62938349
2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride
CID 72716573
3-[(2-amino-2-cyclopropylethyl)amino]-1-methylpyrazin-2-one
CID 63760635
2-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732422
1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one
CID 62938870
1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride
CID 71298900
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CID 94896988

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(piperidin-2-ylmethylamino)pyrazin-2-one?
The IUPAC name of 1-methyl-3-(piperidin-2-ylmethylamino)pyrazin-2-one (CID 62939407) is 1-methyl-3-(piperidin-2-ylmethylamino)pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-(piperidin-2-ylmethylamino)pyrazin-2-one?
The canonical SMILES for 1-methyl-3-(piperidin-2-ylmethylamino)pyrazin-2-one is Cn1ccnc(NCC2CCCCN2)c1=O.
What is the InChIKey of 1-methyl-3-(piperidin-2-ylmethylamino)pyrazin-2-one?
The InChIKey is JSGAZQLKXOLENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-7-6-13-10(11(15)16)14-8-9-4-2-3-5-12-9/h6-7,9,12H,2-5,8H2,1H3,(H,13,14).
What are the key properties of 1-methyl-3-(piperidin-2-ylmethylamino)pyrazin-2-one?
1-methyl-3-(piperidin-2-ylmethylamino)pyrazin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(piperidin-2-ylmethylamino)pyrazin-2-one is sourced from PubChem (CID 62939407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).