tert-butyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate

C26H30N4O2 — CID 162718252

IUPACtert-butyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C26H30N4O2/c1-26(2,3)32-25(31)28-21-14-16-30(17-15-21)22-18-27-23(19-10-6-4-7-11-19)24(29-22)20-12-8-5-9-13-20/h4-13,18,21H,14-17H2,1-3H3,(H,28,31)
InChIKeyIUMGJIOETDUWJM-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.30
Rot. Bonds4

About tert-butyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate (PubChem CID 162718252) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is tert-butyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate
PubChem CID162718252
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Nametert-butyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C26H30N4O2/c1-26(2,3)32-25(31)28-21-14-16-30(17-15-21)22-18-27-23(19-10-6-4-7-11-19)24(29-22)20-12-8-5-9-13-20/h4-13,18,21H,14-17H2,1-3H3,(H,28,31)
InChIKeyIUMGJIOETDUWJM-UHFFFAOYSA-N
XLogP5.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate (CID 162718252) is tert-butyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1.
What is the InChIKey of tert-butyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate?
The InChIKey is IUMGJIOETDUWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-26(2,3)32-25(31)28-21-14-16-30(17-15-21)22-18-27-23(19-10-6-4-7-11-19)24(29-22)20-12-8-5-9-13-20/h4-13,18,21H,14-17H2,1-3H3,(H,28,31).
What are the key properties of tert-butyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate has a molecular weight of 430.55 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 162718252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).