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

C22H19Cl3N4O2 — CID 69335868

IUPAC[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate
SMILESO=C(NN1CCCCC1)Oc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C22H19Cl3N4O2/c23-15-6-4-14(5-7-15)20-21(17-9-8-16(24)12-18(17)25)27-19(13-26-20)31-22(30)28-29-10-2-1-3-11-29/h4-9,12-13H,1-3,10-11H2,(H,28,30)
InChIKeyBHWXRRGVNUYGHQ-UHFFFAOYSA-N
MW477.78 g/mol
LogP6.26
Rot. Bonds4

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

[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate (PubChem CID 69335868) has the molecular formula C22H19Cl3N4O2 and a molecular weight of 477.78 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate
PubChem CID69335868
Molecular FormulaC22H19Cl3N4O2
Molecular Weight477.78 g/mol
Exact Mass476.06
IUPAC Name[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate
SMILESO=C(NN1CCCCC1)Oc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C22H19Cl3N4O2/c23-15-6-4-14(5-7-15)20-21(17-9-8-16(24)12-18(17)25)27-19(13-26-20)31-22(30)28-29-10-2-1-3-11-29/h4-9,12-13H,1-3,10-11H2,(H,28,30)
InChIKeyBHWXRRGVNUYGHQ-UHFFFAOYSA-N
XLogP6.26
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.78
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate?
The IUPAC name of [5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate (CID 69335868) is [5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate.
What is the SMILES notation for [5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate?
The canonical SMILES for [5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate is O=C(NN1CCCCC1)Oc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of [5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate?
The InChIKey is BHWXRRGVNUYGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N4O2/c23-15-6-4-14(5-7-15)20-21(17-9-8-16(24)12-18(17)25)27-19(13-26-20)31-22(30)28-29-10-2-1-3-11-29/h4-9,12-13H,1-3,10-11H2,(H,28,30).
What are the key properties of [5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate?
[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate has a molecular weight of 477.78 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate is sourced from PubChem (CID 69335868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).