3-ethyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one

C24H33N3O2 — CID 10000788

IUPAC3-ethyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCCc1c(C)[nH]c2c1C(=O)C(CCN1CCN(c3ccccc3OC)CC1)CC2
InChIInChI=1S/C24H33N3O2/c1-4-19-17(2)25-20-10-9-18(24(28)23(19)20)11-12-26-13-15-27(16-14-26)21-7-5-6-8-22(21)29-3/h5-8,18,25H,4,9-16H2,1-3H3
InChIKeyLHGSFGIUUOTCPG-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.85
Rot. Bonds6

About 3-ethyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one

3-ethyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one (PubChem CID 10000788) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 3-ethyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name3-ethyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one
PubChem CID10000788
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name3-ethyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCCc1c(C)[nH]c2c1C(=O)C(CCN1CCN(c3ccccc3OC)CC1)CC2
InChIInChI=1S/C24H33N3O2/c1-4-19-17(2)25-20-10-9-18(24(28)23(19)20)11-12-26-13-15-27(16-14-26)21-7-5-6-8-22(21)29-3/h5-8,18,25H,4,9-16H2,1-3H3
InChIKeyLHGSFGIUUOTCPG-UHFFFAOYSA-N
XLogP3.85
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one with MolForge

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Related Compounds

N-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10454026
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11165673
3-[2-(4-Isopropyl-phenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one
CID 18669097
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 455390
N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide
CID 122178767
1H-indol-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 455444
(5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4912133
[4-(2-methoxyphenyl)piperazin-1-yl](5-methyl-1H-indol-2-yl)methanone
CID 5237834
N-(2-methoxyphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 8070952
4-(2-Methoxyphenyl)-1-{3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]-1-oxopropyl}piperazine
CID 18669085
3-[2-(4-tert-Butyl-phenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one
CID 18669089
N-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide
CID 49863743

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 3-ethyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one (CID 10000788) is 3-ethyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 3-ethyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 3-ethyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one is CCc1c(C)[nH]c2c1C(=O)C(CCN1CCN(c3ccccc3OC)CC1)CC2.
What is the InChIKey of 3-ethyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is LHGSFGIUUOTCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-4-19-17(2)25-20-10-9-18(24(28)23(19)20)11-12-26-13-15-27(16-14-26)21-7-5-6-8-22(21)29-3/h5-8,18,25H,4,9-16H2,1-3H3.
What are the key properties of 3-ethyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one?
3-ethyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 395.55 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 10000788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).