[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate

C13H18N4O3 — CID 2685715

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
SMILESCC1CCN(C(=O)COC(=O)c2nccnc2N)CC1
InChIInChI=1S/C13H18N4O3/c1-9-2-6-17(7-3-9)10(18)8-20-13(19)11-12(14)16-5-4-15-11/h4-5,9H,2-3,6-8H2,1H3,(H2,14,16)
InChIKeyOGCLMGNPMCRXBT-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.47
Rot. Bonds3

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate (PubChem CID 2685715) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
PubChem CID2685715
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
SMILESCC1CCN(C(=O)COC(=O)c2nccnc2N)CC1
InChIInChI=1S/C13H18N4O3/c1-9-2-6-17(7-3-9)10(18)8-20-13(19)11-12(14)16-5-4-15-11/h4-5,9H,2-3,6-8H2,1H3,(H2,14,16)
InChIKeyOGCLMGNPMCRXBT-UHFFFAOYSA-N
XLogP0.47
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate
CID 2687681
[2-(azepan-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2625779
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 41182884
cyclopropylmethyl 3-aminopyrazine-2-carboxylate
CID 63259879
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2352452
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441306
2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone
CID 83967675
2-cyclopropylethyl 3-aminopyrazine-2-carboxylate
CID 103714850
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2370489
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566537
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7753277
[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl] 3-aminopyrazine-2-carboxylate
CID 30256642

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate (CID 2685715) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate is CC1CCN(C(=O)COC(=O)c2nccnc2N)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The InChIKey is OGCLMGNPMCRXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-9-2-6-17(7-3-9)10(18)8-20-13(19)11-12(14)16-5-4-15-11/h4-5,9H,2-3,6-8H2,1H3,(H2,14,16).
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 2685715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).