1-[5-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone

C24H30ClN3O2 — CID 141186561

IUPAC1-[5-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(CCN3CCN(CCOc4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C24H30ClN3O2/c1-19(29)28-11-9-21-18-20(6-7-23(21)28)8-10-26-12-14-27(15-13-26)16-17-30-24-5-3-2-4-22(24)25/h2-7,18H,8-17H2,1H3
InChIKeyYJMKGVHCSMAHOD-UHFFFAOYSA-N
MW427.98 g/mol
LogP3.49
Rot. Bonds7

About 1-[5-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone

1-[5-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 141186561) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 1-[5-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID141186561
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name1-[5-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(CCN3CCN(CCOc4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C24H30ClN3O2/c1-19(29)28-11-9-21-18-20(6-7-23(21)28)8-10-26-12-14-27(15-13-26)16-17-30-24-5-3-2-4-22(24)25/h2-7,18H,8-17H2,1H3
InChIKeyYJMKGVHCSMAHOD-UHFFFAOYSA-N
XLogP3.49
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone 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-[5-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone (CID 141186561) is 1-[5-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(CCN3CCN(CCOc4ccccc4Cl)CC3)ccc21.
What is the InChIKey of 1-[5-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is YJMKGVHCSMAHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-19(29)28-11-9-21-18-20(6-7-23(21)28)8-10-26-12-14-27(15-13-26)16-17-30-24-5-3-2-4-22(24)25/h2-7,18H,8-17H2,1H3.
What are the key properties of 1-[5-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 427.98 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 141186561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).