4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide

C22H23N5O2 — CID 6482751

IUPAC4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide
SMILESCOc1ccccc1N1CCN(c2cncc(-c3ccc(C(N)=O)cc3)n2)CC1
InChIInChI=1S/C22H23N5O2/c1-29-20-5-3-2-4-19(20)26-10-12-27(13-11-26)21-15-24-14-18(25-21)16-6-8-17(9-7-16)22(23)28/h2-9,14-15H,10-13H2,1H3,(H2,23,28)
InChIKeyZIHMNSXOJSJZPZ-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.58
Rot. Bonds5

About 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide

4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide (PubChem CID 6482751) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide
PubChem CID6482751
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide
SMILESCOc1ccccc1N1CCN(c2cncc(-c3ccc(C(N)=O)cc3)n2)CC1
InChIInChI=1S/C22H23N5O2/c1-29-20-5-3-2-4-19(20)26-10-12-27(13-11-26)21-15-24-14-18(25-21)16-6-8-17(9-7-16)22(23)28/h2-9,14-15H,10-13H2,1H3,(H2,23,28)
InChIKeyZIHMNSXOJSJZPZ-UHFFFAOYSA-N
XLogP2.58
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide (CID 6482751) is 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide is COc1ccccc1N1CCN(c2cncc(-c3ccc(C(N)=O)cc3)n2)CC1.
What is the InChIKey of 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide?
The InChIKey is ZIHMNSXOJSJZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-20-5-3-2-4-19(20)26-10-12-27(13-11-26)21-15-24-14-18(25-21)16-6-8-17(9-7-16)22(23)28/h2-9,14-15H,10-13H2,1H3,(H2,23,28).
What are the key properties of 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide?
4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide has a molecular weight of 389.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 6482751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).