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

C24H26N4O2 — CID 69336003

IUPAC[5,6-bis(4-methylphenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate
SMILESCc1ccc(-c2ncc(OC(=O)NN3CCCCC3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N4O2/c1-17-6-10-19(11-7-17)22-23(20-12-8-18(2)9-13-20)26-21(16-25-22)30-24(29)27-28-14-4-3-5-15-28/h6-13,16H,3-5,14-15H2,1-2H3,(H,27,29)
InChIKeyJLDRCXNZZMZCHD-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.92
Rot. Bonds4

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

[5,6-bis(4-methylphenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate (PubChem CID 69336003) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is [5,6-bis(4-methylphenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate.

Molecular Properties

Compound Name[5,6-bis(4-methylphenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate
PubChem CID69336003
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name[5,6-bis(4-methylphenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate
SMILESCc1ccc(-c2ncc(OC(=O)NN3CCCCC3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N4O2/c1-17-6-10-19(11-7-17)22-23(20-12-8-18(2)9-13-20)26-21(16-25-22)30-24(29)27-28-14-4-3-5-15-28/h6-13,16H,3-5,14-15H2,1-2H3,(H,27,29)
InChIKeyJLDRCXNZZMZCHD-UHFFFAOYSA-N
XLogP4.92
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.92
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-methylphenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate?
The IUPAC name of [5,6-bis(4-methylphenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate (CID 69336003) is [5,6-bis(4-methylphenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate.
What is the SMILES notation for [5,6-bis(4-methylphenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate?
The canonical SMILES for [5,6-bis(4-methylphenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate is Cc1ccc(-c2ncc(OC(=O)NN3CCCCC3)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of [5,6-bis(4-methylphenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate?
The InChIKey is JLDRCXNZZMZCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-6-10-19(11-7-17)22-23(20-12-8-18(2)9-13-20)26-21(16-25-22)30-24(29)27-28-14-4-3-5-15-28/h6-13,16H,3-5,14-15H2,1-2H3,(H,27,29).
What are the key properties of [5,6-bis(4-methylphenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate?
[5,6-bis(4-methylphenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate has a molecular weight of 402.50 g/mol, XLogP of 4.92, 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-methylphenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate is sourced from PubChem (CID 69336003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).