3-[3-[4-(2-phenylpropyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole

C26H32N6 — CID 10574570

IUPAC3-[3-[4-(2-phenylpropyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESCC(CN1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1
InChIInChI=1S/C26H32N6/c1-21(22-6-3-2-4-7-22)18-31-14-12-30(13-15-31)11-5-8-23-17-27-26-10-9-24(16-25(23)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-21,27H,5,8,11-15,18H2,1H3
InChIKeyRDJZKBHLFPKGGZ-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.10
Rot. Bonds8

About 3-[3-[4-(2-phenylpropyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole

3-[3-[4-(2-phenylpropyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole (PubChem CID 10574570) has the molecular formula C26H32N6 and a molecular weight of 428.58 g/mol. Its IUPAC name is 3-[3-[4-(2-phenylpropyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole.

Molecular Properties

Compound Name3-[3-[4-(2-phenylpropyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
PubChem CID10574570
Molecular FormulaC26H32N6
Molecular Weight428.58 g/mol
Exact Mass428.27
IUPAC Name3-[3-[4-(2-phenylpropyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESCC(CN1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1
InChIInChI=1S/C26H32N6/c1-21(22-6-3-2-4-7-22)18-31-14-12-30(13-15-31)11-5-8-23-17-27-26-10-9-24(16-25(23)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-21,27H,5,8,11-15,18H2,1H3
InChIKeyRDJZKBHLFPKGGZ-UHFFFAOYSA-N
XLogP4.10
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-phenylpropyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The IUPAC name of 3-[3-[4-(2-phenylpropyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole (CID 10574570) is 3-[3-[4-(2-phenylpropyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole.
What is the SMILES notation for 3-[3-[4-(2-phenylpropyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The canonical SMILES for 3-[3-[4-(2-phenylpropyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole is CC(CN1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1.
What is the InChIKey of 3-[3-[4-(2-phenylpropyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The InChIKey is RDJZKBHLFPKGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6/c1-21(22-6-3-2-4-7-22)18-31-14-12-30(13-15-31)11-5-8-23-17-27-26-10-9-24(16-25(23)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-21,27H,5,8,11-15,18H2,1H3.
What are the key properties of 3-[3-[4-(2-phenylpropyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
3-[3-[4-(2-phenylpropyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole has a molecular weight of 428.58 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-phenylpropyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole is sourced from PubChem (CID 10574570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).