ethyl 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylate

C13H17N3O4 — CID 43623388

IUPACethyl 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C13H17N3O4/c1-2-20-13(19)9-3-5-16(6-4-9)12(18)10-7-15-11(17)8-14-10/h7-9H,2-6H2,1H3,(H,15,17)
InChIKeySRIWDYBPWNXSHB-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.19
Rot. Bonds3

About ethyl 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylate

ethyl 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylate (PubChem CID 43623388) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is ethyl 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylate
PubChem CID43623388
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Nameethyl 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C13H17N3O4/c1-2-20-13(19)9-3-5-16(6-4-9)12(18)10-7-15-11(17)8-14-10/h7-9H,2-6H2,1H3,(H,15,17)
InChIKeySRIWDYBPWNXSHB-UHFFFAOYSA-N
XLogP0.19
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylate (CID 43623388) is ethyl 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1.
What is the InChIKey of ethyl 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is SRIWDYBPWNXSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-2-20-13(19)9-3-5-16(6-4-9)12(18)10-7-15-11(17)8-14-10/h7-9H,2-6H2,1H3,(H,15,17).
What are the key properties of ethyl 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylate?
ethyl 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 279.30 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 43623388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).