(2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate

C12H16N4O3 — CID 2687681

IUPAC(2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCC(=O)N1CCCCC1
InChIInChI=1S/C12H16N4O3/c13-11-10(14-4-5-15-11)12(18)19-8-9(17)16-6-2-1-3-7-16/h4-5H,1-3,6-8H2,(H2,13,15)
InChIKeyRHPGCDUHCNKZSN-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.23
Rot. Bonds3

About (2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate (PubChem CID 2687681) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate
PubChem CID2687681
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCC(=O)N1CCCCC1
InChIInChI=1S/C12H16N4O3/c13-11-10(14-4-5-15-11)12(18)19-8-9(17)16-6-2-1-3-7-16/h4-5H,1-3,6-8H2,(H2,13,15)
InChIKeyRHPGCDUHCNKZSN-UHFFFAOYSA-N
XLogP0.23
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2625779
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2685715
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 41182884
[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl] 3-aminopyrazine-2-carboxylate
CID 30256642
[2-(azepan-1-yl)-2-oxoethyl] 5-aminopyridine-2-carboxylate
CID 81316115
[2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441256
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate
CID 43039024
[2-(azepan-1-yl)-2-oxoethyl] 2-ethyl-1H-imidazole-5-carboxylate
CID 75395343
(2-oxo-2-pyrrolidin-1-ylethyl) 2-chloropyridine-4-carboxylate
CID 23773721
cyclopropylmethyl 3-aminopyrazine-2-carboxylate
CID 63259879
[2-(azepan-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 4132408

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate (CID 2687681) is (2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate is Nc1nccnc1C(=O)OCC(=O)N1CCCCC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate?
The InChIKey is RHPGCDUHCNKZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-11-10(14-4-5-15-11)12(18)19-8-9(17)16-6-2-1-3-7-16/h4-5H,1-3,6-8H2,(H2,13,15).
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 2687681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).