ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate

C12H17N3O3 — CID 115650147

IUPACethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C12H17N3O3/c1-2-18-12(17)9-3-7-15(8-4-9)10-11(16)14-6-5-13-10/h5-6,9H,2-4,7-8H2,1H3,(H,14,16)
InChIKeyHJRHCCBLTQYWNJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.55
Rot. Bonds3

About ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate

ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate (PubChem CID 115650147) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate
PubChem CID115650147
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nameethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C12H17N3O3/c1-2-18-12(17)9-3-7-15(8-4-9)10-11(16)14-6-5-13-10/h5-6,9H,2-4,7-8H2,1H3,(H,14,16)
InChIKeyHJRHCCBLTQYWNJ-UHFFFAOYSA-N
XLogP0.55
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one
CID 115657150
ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate
CID 71741541
2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid
CID 114570494
ethyl 1-(3-nitro-2-pyridinyl)piperidine-4-carboxylate
CID 60631682
ethyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxylate
CID 104733371
ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate
CID 62131854
3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one
CID 129394339
ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 42226847
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 143917578
ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate
CID 9124455
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
ethyl 1-[5-amino-6-(2,2-dimethylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142069

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate (CID 115650147) is ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncc[nH]c2=O)CC1.
What is the InChIKey of ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate?
The InChIKey is HJRHCCBLTQYWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-18-12(17)9-3-7-15(8-4-9)10-11(16)14-6-5-13-10/h5-6,9H,2-4,7-8H2,1H3,(H,14,16).
What are the key properties of ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate?
ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate is sourced from PubChem (CID 115650147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).