[5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate

C22H20Cl2N4O2 — CID 69335881

IUPAC[5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate
SMILESO=C(NN1CCCCC1)Oc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H20Cl2N4O2/c23-17-8-4-15(5-9-17)20-21(16-6-10-18(24)11-7-16)26-19(14-25-20)30-22(29)27-28-12-2-1-3-13-28/h4-11,14H,1-3,12-13H2,(H,27,29)
InChIKeyGMJCGRRXTIYAMU-UHFFFAOYSA-N
MW443.33 g/mol
LogP5.61
Rot. Bonds4

About [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate

[5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate (PubChem CID 69335881) has the molecular formula C22H20Cl2N4O2 and a molecular weight of 443.33 g/mol. Its IUPAC name is [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate.

Molecular Properties

Compound Name[5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate
PubChem CID69335881
Molecular FormulaC22H20Cl2N4O2
Molecular Weight443.33 g/mol
Exact Mass442.10
IUPAC Name[5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate
SMILESO=C(NN1CCCCC1)Oc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H20Cl2N4O2/c23-17-8-4-15(5-9-17)20-21(16-6-10-18(24)11-7-16)26-19(14-25-20)30-22(29)27-28-12-2-1-3-13-28/h4-11,14H,1-3,12-13H2,(H,27,29)
InChIKeyGMJCGRRXTIYAMU-UHFFFAOYSA-N
XLogP5.61
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate?
The IUPAC name of [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate (CID 69335881) is [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate.
What is the SMILES notation for [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate?
The canonical SMILES for [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate is O=C(NN1CCCCC1)Oc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate?
The InChIKey is GMJCGRRXTIYAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O2/c23-17-8-4-15(5-9-17)20-21(16-6-10-18(24)11-7-16)26-19(14-25-20)30-22(29)27-28-12-2-1-3-13-28/h4-11,14H,1-3,12-13H2,(H,27,29).
What are the key properties of [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate?
[5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate has a molecular weight of 443.33 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate is sourced from PubChem (CID 69335881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).