About (5-phenyl-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone
(5-phenyl-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone (PubChem CID 11996054) has the molecular formula C35H37N3O2
and a molecular weight of 531.70 g/mol. Its IUPAC name is (5-phenyl-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone.
Molecular Properties
| Compound Name | (5-phenyl-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone |
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| PubChem CID | 11996054 |
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| Molecular Formula | C35H37N3O2 |
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| Molecular Weight | 531.70 g/mol |
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| Exact Mass | 531.29 |
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| IUPAC Name | (5-phenyl-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone |
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| SMILES | CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCc4cc(-c5ccccc5)ccc43)c2)CC1 |
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| InChI | InChI=1S/C35H37N3O2/c1-26(2)40-34-14-7-6-13-33(34)37-21-19-36(20-22-37)25-27-9-8-12-31(23-27)35(39)38-18-17-30-24-29(15-16-32(30)38)28-10-4-3-5-11-28/h3-16,23-24,26H,17-22,25H2,1-2H3 |
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| InChIKey | SREDKXHDYOCJNA-UHFFFAOYSA-N |
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| XLogP | 6.67 |
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| TPSA | 36.02 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 531.70 |
| LogP ≤ 5 | 6.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of (5-phenyl-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone?
The IUPAC name of (5-phenyl-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone (CID 11996054) is (5-phenyl-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone.
What is the SMILES notation for (5-phenyl-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone?
The canonical SMILES for (5-phenyl-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone is CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCc4cc(-c5ccccc5)ccc43)c2)CC1.
What is the InChIKey of (5-phenyl-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone?
The InChIKey is SREDKXHDYOCJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O2/c1-26(2)40-34-14-7-6-13-33(34)37-21-19-36(20-22-37)25-27-9-8-12-31(23-27)35(39)38-18-17-30-24-29(15-16-32(30)38)28-10-4-3-5-11-28/h3-16,23-24,26H,17-22,25H2,1-2H3.
What are the key properties of (5-phenyl-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone?
(5-phenyl-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone has a molecular weight of 531.70 g/mol, XLogP of 6.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone is sourced from PubChem (CID 11996054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).