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

C28H26N4O2 — CID 162718220

IUPACphenyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1)Oc1ccccc1
InChIInChI=1S/C28H26N4O2/c33-28(34-24-14-8-3-9-15-24)30-23-16-18-32(19-17-23)25-20-29-26(21-10-4-1-5-11-21)27(31-25)22-12-6-2-7-13-22/h1-15,20,23H,16-19H2,(H,30,33)
InChIKeyCDHNHSIZLJAZBV-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.57
Rot. Bonds5

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

phenyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate (PubChem CID 162718220) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is phenyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate
PubChem CID162718220
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Namephenyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1)Oc1ccccc1
InChIInChI=1S/C28H26N4O2/c33-28(34-24-14-8-3-9-15-24)30-23-16-18-32(19-17-23)25-20-29-26(21-10-4-1-5-11-21)27(31-25)22-12-6-2-7-13-22/h1-15,20,23H,16-19H2,(H,30,33)
InChIKeyCDHNHSIZLJAZBV-UHFFFAOYSA-N
XLogP5.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate?
The IUPAC name of phenyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate (CID 162718220) is phenyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate?
The canonical SMILES for phenyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate is O=C(NC1CCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate?
The InChIKey is CDHNHSIZLJAZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c33-28(34-24-14-8-3-9-15-24)30-23-16-18-32(19-17-23)25-20-29-26(21-10-4-1-5-11-21)27(31-25)22-12-6-2-7-13-22/h1-15,20,23H,16-19H2,(H,30,33).
What are the key properties of phenyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate?
phenyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate has a molecular weight of 450.54 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 162718220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).