2-(4-ethylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone

C19H27N3O2 — CID 917059

IUPAC2-(4-ethylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
SMILESCCN1CCN(CC(=O)c2c(C)n(C)c3ccc(OC)cc23)CC1
InChIInChI=1S/C19H27N3O2/c1-5-21-8-10-22(11-9-21)13-18(23)19-14(2)20(3)17-7-6-15(24-4)12-16(17)19/h6-7,12H,5,8-11,13H2,1-4H3
InChIKeyODFAKSQXXGFZLG-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.32
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone

2-(4-ethylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone (PubChem CID 917059) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
PubChem CID917059
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-(4-ethylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
SMILESCCN1CCN(CC(=O)c2c(C)n(C)c3ccc(OC)cc23)CC1
InChIInChI=1S/C19H27N3O2/c1-5-21-8-10-22(11-9-21)13-18(23)19-14(2)20(3)17-7-6-15(24-4)12-16(17)19/h6-7,12H,5,8-11,13H2,1-4H3
InChIKeyODFAKSQXXGFZLG-UHFFFAOYSA-N
XLogP2.32
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone (CID 917059) is 2-(4-ethylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone is CCN1CCN(CC(=O)c2c(C)n(C)c3ccc(OC)cc23)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The InChIKey is ODFAKSQXXGFZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-5-21-8-10-22(11-9-21)13-18(23)19-14(2)20(3)17-7-6-15(24-4)12-16(17)19/h6-7,12H,5,8-11,13H2,1-4H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
2-(4-ethylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone has a molecular weight of 329.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone is sourced from PubChem (CID 917059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).