4-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indol-3-yl]butanoic acid

C26H33N3O3 — CID 156767238

IUPAC4-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indol-3-yl]butanoic acid
SMILESCOc1ccccc1N1CCN(CCCn2cc(CCCC(=O)O)c3ccccc32)CC1
InChIInChI=1S/C26H33N3O3/c1-32-25-12-5-4-11-24(25)28-18-16-27(17-19-28)14-7-15-29-20-21(8-6-13-26(30)31)22-9-2-3-10-23(22)29/h2-5,9-12,20H,6-8,13-19H2,1H3,(H,30,31)
InChIKeyWYKAGKFOYGISHK-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.27
Rot. Bonds10

About 4-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indol-3-yl]butanoic acid

4-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indol-3-yl]butanoic acid (PubChem CID 156767238) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 4-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indol-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indol-3-yl]butanoic acid
PubChem CID156767238
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name4-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indol-3-yl]butanoic acid
SMILESCOc1ccccc1N1CCN(CCCn2cc(CCCC(=O)O)c3ccccc32)CC1
InChIInChI=1S/C26H33N3O3/c1-32-25-12-5-4-11-24(25)28-18-16-27(17-19-28)14-7-15-29-20-21(8-6-13-26(30)31)22-9-2-3-10-23(22)29/h2-5,9-12,20H,6-8,13-19H2,1H3,(H,30,31)
InChIKeyWYKAGKFOYGISHK-UHFFFAOYSA-N
XLogP4.27
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indol-3-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indol-3-yl]butanoic acid?
The IUPAC name of 4-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indol-3-yl]butanoic acid (CID 156767238) is 4-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indol-3-yl]butanoic acid.
What is the SMILES notation for 4-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indol-3-yl]butanoic acid?
The canonical SMILES for 4-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indol-3-yl]butanoic acid is COc1ccccc1N1CCN(CCCn2cc(CCCC(=O)O)c3ccccc32)CC1.
What is the InChIKey of 4-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indol-3-yl]butanoic acid?
The InChIKey is WYKAGKFOYGISHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-32-25-12-5-4-11-24(25)28-18-16-27(17-19-28)14-7-15-29-20-21(8-6-13-26(30)31)22-9-2-3-10-23(22)29/h2-5,9-12,20H,6-8,13-19H2,1H3,(H,30,31).
What are the key properties of 4-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indol-3-yl]butanoic acid?
4-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indol-3-yl]butanoic acid has a molecular weight of 435.57 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indol-3-yl]butanoic acid is sourced from PubChem (CID 156767238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).