tert-butyl 4-(5,6-diphenylpyrazin-2-yl)piperazine-1-carboxylate

C25H28N4O2 — CID 162718207

IUPACtert-butyl 4-(5,6-diphenylpyrazin-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C25H28N4O2/c1-25(2,3)31-24(30)29-16-14-28(15-17-29)21-18-26-22(19-10-6-4-7-11-19)23(27-21)20-12-8-5-9-13-20/h4-13,18H,14-17H2,1-3H3
InChIKeyDQLNOSSMXQOIFK-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.87
Rot. Bonds3

About tert-butyl 4-(5,6-diphenylpyrazin-2-yl)piperazine-1-carboxylate

tert-butyl 4-(5,6-diphenylpyrazin-2-yl)piperazine-1-carboxylate (PubChem CID 162718207) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is tert-butyl 4-(5,6-diphenylpyrazin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5,6-diphenylpyrazin-2-yl)piperazine-1-carboxylate
PubChem CID162718207
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Nametert-butyl 4-(5,6-diphenylpyrazin-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C25H28N4O2/c1-25(2,3)31-24(30)29-16-14-28(15-17-29)21-18-26-22(19-10-6-4-7-11-19)23(27-21)20-12-8-5-9-13-20/h4-13,18H,14-17H2,1-3H3
InChIKeyDQLNOSSMXQOIFK-UHFFFAOYSA-N
XLogP4.87
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5,6-diphenylpyrazin-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5,6-diphenylpyrazin-2-yl)piperazine-1-carboxylate (CID 162718207) is tert-butyl 4-(5,6-diphenylpyrazin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5,6-diphenylpyrazin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5,6-diphenylpyrazin-2-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1.
What is the InChIKey of tert-butyl 4-(5,6-diphenylpyrazin-2-yl)piperazine-1-carboxylate?
The InChIKey is DQLNOSSMXQOIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-25(2,3)31-24(30)29-16-14-28(15-17-29)21-18-26-22(19-10-6-4-7-11-19)23(27-21)20-12-8-5-9-13-20/h4-13,18H,14-17H2,1-3H3.
What are the key properties of tert-butyl 4-(5,6-diphenylpyrazin-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(5,6-diphenylpyrazin-2-yl)piperazine-1-carboxylate has a molecular weight of 416.53 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5,6-diphenylpyrazin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 162718207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).