1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3-(furan-3-yl)indole

C26H35N3O — CID 56640866

IUPAC1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3-(furan-3-yl)indole
SMILESc1ccc2c(c1)c(-c1ccoc1)cn2CCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H35N3O/c1-2-8-23(9-3-1)28-17-15-27(16-18-28)13-6-7-14-29-20-25(22-12-19-30-21-22)24-10-4-5-11-26(24)29/h4-5,10-12,19-21,23H,1-3,6-9,13-18H2
InChIKeyLCIPPUOTHXMYMD-UHFFFAOYSA-N
MW405.59 g/mol
LogP5.63
Rot. Bonds7

About 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3-(furan-3-yl)indole

1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3-(furan-3-yl)indole (PubChem CID 56640866) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3-(furan-3-yl)indole.

Molecular Properties

Compound Name1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3-(furan-3-yl)indole
PubChem CID56640866
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC Name1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3-(furan-3-yl)indole
SMILESc1ccc2c(c1)c(-c1ccoc1)cn2CCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H35N3O/c1-2-8-23(9-3-1)28-17-15-27(16-18-28)13-6-7-14-29-20-25(22-12-19-30-21-22)24-10-4-5-11-26(24)29/h4-5,10-12,19-21,23H,1-3,6-9,13-18H2
InChIKeyLCIPPUOTHXMYMD-UHFFFAOYSA-N
XLogP5.63
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3-(furan-3-yl)indole 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 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3-(furan-3-yl)indole?
The IUPAC name of 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3-(furan-3-yl)indole (CID 56640866) is 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3-(furan-3-yl)indole.
What is the SMILES notation for 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3-(furan-3-yl)indole?
The canonical SMILES for 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3-(furan-3-yl)indole is c1ccc2c(c1)c(-c1ccoc1)cn2CCCCN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3-(furan-3-yl)indole?
The InChIKey is LCIPPUOTHXMYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c1-2-8-23(9-3-1)28-17-15-27(16-18-28)13-6-7-14-29-20-25(22-12-19-30-21-22)24-10-4-5-11-26(24)29/h4-5,10-12,19-21,23H,1-3,6-9,13-18H2.
What are the key properties of 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3-(furan-3-yl)indole?
1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3-(furan-3-yl)indole has a molecular weight of 405.59 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3-(furan-3-yl)indole is sourced from PubChem (CID 56640866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).