6-(5-butyl-3-piperidin-1-ylpyrazin-2-yl)-1H-indole

C21H26N4 — CID 175918144

IUPAC6-(5-butyl-3-piperidin-1-ylpyrazin-2-yl)-1H-indole
SMILESCCCCc1cnc(-c2ccc3cc[nH]c3c2)c(N2CCCCC2)n1
InChIInChI=1S/C21H26N4/c1-2-3-7-18-15-23-20(21(24-18)25-12-5-4-6-13-25)17-9-8-16-10-11-22-19(16)14-17/h8-11,14-15,22H,2-7,12-13H2,1H3
InChIKeySSNSFQQOMMZSNC-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.96
Rot. Bonds5

About 6-(5-butyl-3-piperidin-1-ylpyrazin-2-yl)-1H-indole

6-(5-butyl-3-piperidin-1-ylpyrazin-2-yl)-1H-indole (PubChem CID 175918144) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 6-(5-butyl-3-piperidin-1-ylpyrazin-2-yl)-1H-indole.

Molecular Properties

Compound Name6-(5-butyl-3-piperidin-1-ylpyrazin-2-yl)-1H-indole
PubChem CID175918144
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name6-(5-butyl-3-piperidin-1-ylpyrazin-2-yl)-1H-indole
SMILESCCCCc1cnc(-c2ccc3cc[nH]c3c2)c(N2CCCCC2)n1
InChIInChI=1S/C21H26N4/c1-2-3-7-18-15-23-20(21(24-18)25-12-5-4-6-13-25)17-9-8-16-10-11-22-19(16)14-17/h8-11,14-15,22H,2-7,12-13H2,1H3
InChIKeySSNSFQQOMMZSNC-UHFFFAOYSA-N
XLogP4.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-butyl-3-piperidin-1-ylpyrazin-2-yl)-1H-indole?
The IUPAC name of 6-(5-butyl-3-piperidin-1-ylpyrazin-2-yl)-1H-indole (CID 175918144) is 6-(5-butyl-3-piperidin-1-ylpyrazin-2-yl)-1H-indole.
What is the SMILES notation for 6-(5-butyl-3-piperidin-1-ylpyrazin-2-yl)-1H-indole?
The canonical SMILES for 6-(5-butyl-3-piperidin-1-ylpyrazin-2-yl)-1H-indole is CCCCc1cnc(-c2ccc3cc[nH]c3c2)c(N2CCCCC2)n1.
What is the InChIKey of 6-(5-butyl-3-piperidin-1-ylpyrazin-2-yl)-1H-indole?
The InChIKey is SSNSFQQOMMZSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-2-3-7-18-15-23-20(21(24-18)25-12-5-4-6-13-25)17-9-8-16-10-11-22-19(16)14-17/h8-11,14-15,22H,2-7,12-13H2,1H3.
What are the key properties of 6-(5-butyl-3-piperidin-1-ylpyrazin-2-yl)-1H-indole?
6-(5-butyl-3-piperidin-1-ylpyrazin-2-yl)-1H-indole has a molecular weight of 334.47 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-butyl-3-piperidin-1-ylpyrazin-2-yl)-1H-indole is sourced from PubChem (CID 175918144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).