5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole

C25H30N6O — CID 122180610

IUPAC5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole
SMILESCOc1ccccc1N1CCN(CCCCn2cc(-c3ccc4[nH]ccc4c3)nn2)CC1
InChIInChI=1S/C25H30N6O/c1-32-25-7-3-2-6-24(25)30-16-14-29(15-17-30)12-4-5-13-31-19-23(27-28-31)20-8-9-22-21(18-20)10-11-26-22/h2-3,6-11,18-19,26H,4-5,12-17H2,1H3
InChIKeyYZNCNHWANPBHMC-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.04
Rot. Bonds8

About 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole

5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole (PubChem CID 122180610) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole.

Molecular Properties

Compound Name5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole
PubChem CID122180610
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole
SMILESCOc1ccccc1N1CCN(CCCCn2cc(-c3ccc4[nH]ccc4c3)nn2)CC1
InChIInChI=1S/C25H30N6O/c1-32-25-7-3-2-6-24(25)30-16-14-29(15-17-30)12-4-5-13-31-19-23(27-28-31)20-8-9-22-21(18-20)10-11-26-22/h2-3,6-11,18-19,26H,4-5,12-17H2,1H3
InChIKeyYZNCNHWANPBHMC-UHFFFAOYSA-N
XLogP4.04
TPSA62.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole?
The IUPAC name of 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole (CID 122180610) is 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole.
What is the SMILES notation for 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole?
The canonical SMILES for 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole is COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4[nH]ccc4c3)nn2)CC1.
What is the InChIKey of 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole?
The InChIKey is YZNCNHWANPBHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-32-25-7-3-2-6-24(25)30-16-14-29(15-17-30)12-4-5-13-31-19-23(27-28-31)20-8-9-22-21(18-20)10-11-26-22/h2-3,6-11,18-19,26H,4-5,12-17H2,1H3.
What are the key properties of 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole?
5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole has a molecular weight of 430.56 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole is sourced from PubChem (CID 122180610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).