3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxylic acid

C24H28N2O2 — CID 11326368

IUPAC3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(CCCCN3CCC(c4ccccc4)CC3)c2c1
InChIInChI=1S/C24H28N2O2/c27-24(28)20-9-10-23-22(16-20)21(17-25-23)8-4-5-13-26-14-11-19(12-15-26)18-6-2-1-3-7-18/h1-3,6-7,9-10,16-17,19,25H,4-5,8,11-15H2,(H,27,28)
InChIKeyUTBJLSMZCXDLAF-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.07
Rot. Bonds7

About 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxylic acid

3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxylic acid (PubChem CID 11326368) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxylic acid
PubChem CID11326368
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(CCCCN3CCC(c4ccccc4)CC3)c2c1
InChIInChI=1S/C24H28N2O2/c27-24(28)20-9-10-23-22(16-20)21(17-25-23)8-4-5-13-26-14-11-19(12-15-26)18-6-2-1-3-7-18/h1-3,6-7,9-10,16-17,19,25H,4-5,8,11-15H2,(H,27,28)
InChIKeyUTBJLSMZCXDLAF-UHFFFAOYSA-N
XLogP5.07
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxylic 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 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxylic acid?
The IUPAC name of 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxylic acid (CID 11326368) is 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxylic acid is O=C(O)c1ccc2[nH]cc(CCCCN3CCC(c4ccccc4)CC3)c2c1.
What is the InChIKey of 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxylic acid?
The InChIKey is UTBJLSMZCXDLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-24(28)20-9-10-23-22(16-20)21(17-25-23)8-4-5-13-26-14-11-19(12-15-26)18-6-2-1-3-7-18/h1-3,6-7,9-10,16-17,19,25H,4-5,8,11-15H2,(H,27,28).
What are the key properties of 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxylic acid?
3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxylic acid has a molecular weight of 376.50 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxylic acid is sourced from PubChem (CID 11326368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).