About [1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone (PubChem CID 58967655) has the molecular formula C32H36ClN3O3
and a molecular weight of 546.11 g/mol. Its IUPAC name is [1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone.
Molecular Properties
| Compound Name | [1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone |
|---|
| PubChem CID | 58967655 |
|---|
| Molecular Formula | C32H36ClN3O3 |
|---|
| Molecular Weight | 546.11 g/mol |
|---|
| Exact Mass | 545.24 |
|---|
| IUPAC Name | [1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone |
|---|
| SMILES | COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c12 |
|---|
| InChI | InChI=1S/C32H36ClN3O3/c1-38-30-9-4-8-26-27(32(37)23-10-11-23)22-36(31(26)30)15-5-14-34-16-18-35(19-17-34)20-21-39-29-13-12-28(33)24-6-2-3-7-25(24)29/h2-4,6-9,12-13,22-23H,5,10-11,14-21H2,1H3 |
|---|
| InChIKey | MKFUUEAMQXSKDV-UHFFFAOYSA-N |
|---|
| XLogP | 6.14 |
|---|
| TPSA | 46.94 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 11 |
|---|
| Heavy Atoms | 39 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 546.11 |
| LogP ≤ 5 | 6.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze [1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone 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-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone?
The IUPAC name of [1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone (CID 58967655) is [1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone.
What is the SMILES notation for [1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone?
The canonical SMILES for [1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone is COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c12.
What is the InChIKey of [1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone?
The InChIKey is MKFUUEAMQXSKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClN3O3/c1-38-30-9-4-8-26-27(32(37)23-10-11-23)22-36(31(26)30)15-5-14-34-16-18-35(19-17-34)20-21-39-29-13-12-28(33)24-6-2-3-7-25(24)29/h2-4,6-9,12-13,22-23H,5,10-11,14-21H2,1H3.
What are the key properties of [1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone?
[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone has a molecular weight of 546.11 g/mol, XLogP of 6.14, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone is sourced from PubChem (CID 58967655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).