5-ethoxy-3-(4-methylpiperazin-2-yl)-1H-indole

C15H21N3O — CID 84637851

IUPAC5-ethoxy-3-(4-methylpiperazin-2-yl)-1H-indole
SMILESCCOc1ccc2[nH]cc(C3CN(C)CCN3)c2c1
InChIInChI=1S/C15H21N3O/c1-3-19-11-4-5-14-12(8-11)13(9-17-14)15-10-18(2)7-6-16-15/h4-5,8-9,15-17H,3,6-7,10H2,1-2H3
InChIKeyXFXWWYRNFQIDTB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.14
Rot. Bonds3

About 5-ethoxy-3-(4-methylpiperazin-2-yl)-1H-indole

5-ethoxy-3-(4-methylpiperazin-2-yl)-1H-indole (PubChem CID 84637851) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-ethoxy-3-(4-methylpiperazin-2-yl)-1H-indole.

Molecular Properties

Compound Name5-ethoxy-3-(4-methylpiperazin-2-yl)-1H-indole
PubChem CID84637851
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-ethoxy-3-(4-methylpiperazin-2-yl)-1H-indole
SMILESCCOc1ccc2[nH]cc(C3CN(C)CCN3)c2c1
InChIInChI=1S/C15H21N3O/c1-3-19-11-4-5-14-12(8-11)13(9-17-14)15-10-18(2)7-6-16-15/h4-5,8-9,15-17H,3,6-7,10H2,1-2H3
InChIKeyXFXWWYRNFQIDTB-UHFFFAOYSA-N
XLogP2.14
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole
CID 171196660
5-ethoxy-3-methyl-1H-indole
CID 82490542
5-ethoxy-3-(3-ethylpiperidin-4-yl)-1H-indole
CID 114509798
3-(3,4-diethoxyphenyl)-1-methylpiperazine
CID 116989258
6-methoxy-4-(4-methylpiperazin-2-yl)quinoline
CID 82665396
ethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate
CID 15341740
2-[(2R)-azetidin-2-yl]-4-ethoxyphenol
CID 55263715
(5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone
CID 80643738
3-(5-ethoxy-1H-indol-3-yl)butanoic acid
CID 82277509
3-(5-methoxy-1H-indol-3-yl)-1-methylpyrrolidine-2,2,5,5-tetrol
CID 167471754
1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 82278313
2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine
CID 98783922

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-(4-methylpiperazin-2-yl)-1H-indole?
The IUPAC name of 5-ethoxy-3-(4-methylpiperazin-2-yl)-1H-indole (CID 84637851) is 5-ethoxy-3-(4-methylpiperazin-2-yl)-1H-indole.
What is the SMILES notation for 5-ethoxy-3-(4-methylpiperazin-2-yl)-1H-indole?
The canonical SMILES for 5-ethoxy-3-(4-methylpiperazin-2-yl)-1H-indole is CCOc1ccc2[nH]cc(C3CN(C)CCN3)c2c1.
What is the InChIKey of 5-ethoxy-3-(4-methylpiperazin-2-yl)-1H-indole?
The InChIKey is XFXWWYRNFQIDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-19-11-4-5-14-12(8-11)13(9-17-14)15-10-18(2)7-6-16-15/h4-5,8-9,15-17H,3,6-7,10H2,1-2H3.
What are the key properties of 5-ethoxy-3-(4-methylpiperazin-2-yl)-1H-indole?
5-ethoxy-3-(4-methylpiperazin-2-yl)-1H-indole has a molecular weight of 259.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-(4-methylpiperazin-2-yl)-1H-indole is sourced from PubChem (CID 84637851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).