2-[3-[4-[1-[(4-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide

C29H31FN4O2 — CID 71151870

IUPAC2-[3-[4-[1-[(4-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide
SMILESNC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3Cc2ccc(F)cc2)CC1
InChIInChI=1S/C29H31FN4O2/c30-23-11-9-22(10-12-23)21-34-15-13-24-26(6-3-7-27(24)34)33-18-16-32(17-19-33)14-4-20-36-28-8-2-1-5-25(28)29(31)35/h1-3,5-13,15H,4,14,16-21H2,(H2,31,35)
InChIKeyCCPODSOEHBIKBW-UHFFFAOYSA-N
MW486.59 g/mol
LogP4.52
Rot. Bonds9

About 2-[3-[4-[1-[(4-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide

2-[3-[4-[1-[(4-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide (PubChem CID 71151870) has the molecular formula C29H31FN4O2 and a molecular weight of 486.59 g/mol. Its IUPAC name is 2-[3-[4-[1-[(4-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide.

Molecular Properties

Compound Name2-[3-[4-[1-[(4-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide
PubChem CID71151870
Molecular FormulaC29H31FN4O2
Molecular Weight486.59 g/mol
Exact Mass486.24
IUPAC Name2-[3-[4-[1-[(4-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide
SMILESNC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3Cc2ccc(F)cc2)CC1
InChIInChI=1S/C29H31FN4O2/c30-23-11-9-22(10-12-23)21-34-15-13-24-26(6-3-7-27(24)34)33-18-16-32(17-19-33)14-4-20-36-28-8-2-1-5-25(28)29(31)35/h1-3,5-13,15H,4,14,16-21H2,(H2,31,35)
InChIKeyCCPODSOEHBIKBW-UHFFFAOYSA-N
XLogP4.52
TPSA63.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-[4-[1-[(4-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide 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 2-[3-[4-[1-[(4-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide?
The IUPAC name of 2-[3-[4-[1-[(4-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide (CID 71151870) is 2-[3-[4-[1-[(4-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide.
What is the SMILES notation for 2-[3-[4-[1-[(4-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide?
The canonical SMILES for 2-[3-[4-[1-[(4-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide is NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[3-[4-[1-[(4-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide?
The InChIKey is CCPODSOEHBIKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O2/c30-23-11-9-22(10-12-23)21-34-15-13-24-26(6-3-7-27(24)34)33-18-16-32(17-19-33)14-4-20-36-28-8-2-1-5-25(28)29(31)35/h1-3,5-13,15H,4,14,16-21H2,(H2,31,35).
What are the key properties of 2-[3-[4-[1-[(4-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide?
2-[3-[4-[1-[(4-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide has a molecular weight of 486.59 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[1-[(4-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide is sourced from PubChem (CID 71151870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).