3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole

C23H29N3O — CID 10451368

IUPAC3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole
SMILESCOc1ccccc1N1CCN(CCCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H29N3O/c1-27-23-12-5-4-11-22(23)26-16-14-25(15-17-26)13-7-6-8-19-18-24-21-10-3-2-9-20(19)21/h2-5,9-12,18,24H,6-8,13-17H2,1H3
InChIKeyLPGUYDKCWIULOY-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.32
Rot. Bonds7

About 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole

3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole (PubChem CID 10451368) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole.

Molecular Properties

Compound Name3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole
PubChem CID10451368
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole
SMILESCOc1ccccc1N1CCN(CCCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H29N3O/c1-27-23-12-5-4-11-22(23)26-16-14-25(15-17-26)13-7-6-8-19-18-24-21-10-3-2-9-20(19)21/h2-5,9-12,18,24H,6-8,13-17H2,1H3
InChIKeyLPGUYDKCWIULOY-UHFFFAOYSA-N
XLogP4.32
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole?
The IUPAC name of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole (CID 10451368) is 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole.
What is the SMILES notation for 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole?
The canonical SMILES for 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole is COc1ccccc1N1CCN(CCCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole?
The InChIKey is LPGUYDKCWIULOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-27-23-12-5-4-11-22(23)26-16-14-25(15-17-26)13-7-6-8-19-18-24-21-10-3-2-9-20(19)21/h2-5,9-12,18,24H,6-8,13-17H2,1H3.
What are the key properties of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole?
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole has a molecular weight of 363.51 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole is sourced from PubChem (CID 10451368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).