1-methyl-3-(piperidin-1-ylmethyl)-2-(pyrazin-2-ylmethyl)indole

C20H24N4 — CID 21196164

IUPAC1-methyl-3-(piperidin-1-ylmethyl)-2-(pyrazin-2-ylmethyl)indole
SMILESCn1c(Cc2cnccn2)c(CN2CCCCC2)c2ccccc21
InChIInChI=1S/C20H24N4/c1-23-19-8-4-3-7-17(19)18(15-24-11-5-2-6-12-24)20(23)13-16-14-21-9-10-22-16/h3-4,7-10,14H,2,5-6,11-13,15H2,1H3
InChIKeyYSCHDWNMSDSKDF-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.55
Rot. Bonds4

About 1-methyl-3-(piperidin-1-ylmethyl)-2-(pyrazin-2-ylmethyl)indole

1-methyl-3-(piperidin-1-ylmethyl)-2-(pyrazin-2-ylmethyl)indole (PubChem CID 21196164) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-methyl-3-(piperidin-1-ylmethyl)-2-(pyrazin-2-ylmethyl)indole.

Molecular Properties

Compound Name1-methyl-3-(piperidin-1-ylmethyl)-2-(pyrazin-2-ylmethyl)indole
PubChem CID21196164
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name1-methyl-3-(piperidin-1-ylmethyl)-2-(pyrazin-2-ylmethyl)indole
SMILESCn1c(Cc2cnccn2)c(CN2CCCCC2)c2ccccc21
InChIInChI=1S/C20H24N4/c1-23-19-8-4-3-7-17(19)18(15-24-11-5-2-6-12-24)20(23)13-16-14-21-9-10-22-16/h3-4,7-10,14H,2,5-6,11-13,15H2,1H3
InChIKeyYSCHDWNMSDSKDF-UHFFFAOYSA-N
XLogP3.55
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(piperidin-1-ylmethyl)-2-(pyrazin-2-ylmethyl)indole?
The IUPAC name of 1-methyl-3-(piperidin-1-ylmethyl)-2-(pyrazin-2-ylmethyl)indole (CID 21196164) is 1-methyl-3-(piperidin-1-ylmethyl)-2-(pyrazin-2-ylmethyl)indole.
What is the SMILES notation for 1-methyl-3-(piperidin-1-ylmethyl)-2-(pyrazin-2-ylmethyl)indole?
The canonical SMILES for 1-methyl-3-(piperidin-1-ylmethyl)-2-(pyrazin-2-ylmethyl)indole is Cn1c(Cc2cnccn2)c(CN2CCCCC2)c2ccccc21.
What is the InChIKey of 1-methyl-3-(piperidin-1-ylmethyl)-2-(pyrazin-2-ylmethyl)indole?
The InChIKey is YSCHDWNMSDSKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-23-19-8-4-3-7-17(19)18(15-24-11-5-2-6-12-24)20(23)13-16-14-21-9-10-22-16/h3-4,7-10,14H,2,5-6,11-13,15H2,1H3.
What are the key properties of 1-methyl-3-(piperidin-1-ylmethyl)-2-(pyrazin-2-ylmethyl)indole?
1-methyl-3-(piperidin-1-ylmethyl)-2-(pyrazin-2-ylmethyl)indole has a molecular weight of 320.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(piperidin-1-ylmethyl)-2-(pyrazin-2-ylmethyl)indole is sourced from PubChem (CID 21196164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).