2-[(4-chlorophenoxy)methyl]-1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indole

C28H36ClN3O — CID 11798404

IUPAC2-[(4-chlorophenoxy)methyl]-1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indole
SMILESCn1c(COc2ccc(Cl)cc2)c(CCN2CCC(N3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C28H36ClN3O/c1-30-27-8-4-3-7-25(27)26(28(30)21-33-24-11-9-22(29)10-12-24)15-20-31-18-13-23(14-19-31)32-16-5-2-6-17-32/h3-4,7-12,23H,2,5-6,13-21H2,1H3
InChIKeyPHVWIWDLCSPLSG-UHFFFAOYSA-N
MW466.07 g/mol
LogP5.90
Rot. Bonds7

About 2-[(4-chlorophenoxy)methyl]-1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indole

2-[(4-chlorophenoxy)methyl]-1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indole (PubChem CID 11798404) has the molecular formula C28H36ClN3O and a molecular weight of 466.07 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indole
PubChem CID11798404
Molecular FormulaC28H36ClN3O
Molecular Weight466.07 g/mol
Exact Mass465.25
IUPAC Name2-[(4-chlorophenoxy)methyl]-1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indole
SMILESCn1c(COc2ccc(Cl)cc2)c(CCN2CCC(N3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C28H36ClN3O/c1-30-27-8-4-3-7-25(27)26(28(30)21-33-24-11-9-22(29)10-12-24)15-20-31-18-13-23(14-19-31)32-16-5-2-6-17-32/h3-4,7-12,23H,2,5-6,13-21H2,1H3
InChIKeyPHVWIWDLCSPLSG-UHFFFAOYSA-N
XLogP5.90
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.07
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-[(4-chlorophenoxy)methyl]-1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]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 2-[(4-chlorophenoxy)methyl]-1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indole (CID 11798404) is 2-[(4-chlorophenoxy)methyl]-1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indole is Cn1c(COc2ccc(Cl)cc2)c(CCN2CCC(N3CCCCC3)CC2)c2ccccc21.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indole?
The InChIKey is PHVWIWDLCSPLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36ClN3O/c1-30-27-8-4-3-7-25(27)26(28(30)21-33-24-11-9-22(29)10-12-24)15-20-31-18-13-23(14-19-31)32-16-5-2-6-17-32/h3-4,7-12,23H,2,5-6,13-21H2,1H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indole?
2-[(4-chlorophenoxy)methyl]-1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indole has a molecular weight of 466.07 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indole is sourced from PubChem (CID 11798404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).