tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate

C14H19N3O4 — CID 103554099

IUPACtert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(=O)c1cnccn1
InChIInChI=1S/C14H19N3O4/c1-14(2,3)21-13(19)17-6-7-20-9-11(17)12(18)10-8-15-4-5-16-10/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeyUKSMHBKVLKEKBV-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.30
Rot. Bonds2

About tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate

tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate (PubChem CID 103554099) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate
PubChem CID103554099
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nametert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(=O)c1cnccn1
InChIInChI=1S/C14H19N3O4/c1-14(2,3)21-13(19)17-6-7-20-9-11(17)12(18)10-8-15-4-5-16-10/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeyUKSMHBKVLKEKBV-UHFFFAOYSA-N
XLogP1.30
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[hydroxy(pyrazin-2-yl)methyl]morpholine-4-carboxylate
CID 103554275
tert-butyl 3-(5-methylpyridine-3-carbonyl)morpholine-4-carboxylate
CID 103553981
tert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate
CID 146014037
tert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate
CID 103554047
tert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate
CID 103554048
tert-butyl 3-(3,5-difluorobenzoyl)morpholine-4-carboxylate
CID 103553945
tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate
CID 103553976
tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate
CID 103554079
tert-butyl 3-(4-fluoro-2-methylbenzoyl)morpholine-4-carboxylate
CID 103554020
tert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate
CID 103554531
tert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate
CID 172992700
tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate
CID 22309118

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate (CID 103554099) is tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1C(=O)c1cnccn1.
What is the InChIKey of tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate?
The InChIKey is UKSMHBKVLKEKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-14(2,3)21-13(19)17-6-7-20-9-11(17)12(18)10-8-15-4-5-16-10/h4-5,8,11H,6-7,9H2,1-3H3.
What are the key properties of tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate?
tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate is sourced from PubChem (CID 103554099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).