1-(4-ethylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone

C18H25N3O2 — CID 113212097

IUPAC1-(4-ethylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2c(C)[nH]c3ccc(OC)cc23)CC1
InChIInChI=1S/C18H25N3O2/c1-4-20-7-9-21(10-8-20)18(22)12-15-13(2)19-17-6-5-14(23-3)11-16(15)17/h5-6,11,19H,4,7-10,12H2,1-3H3
InChIKeySGLOONVPBIEVRG-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.19
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone

1-(4-ethylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone (PubChem CID 113212097) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
PubChem CID113212097
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2c(C)[nH]c3ccc(OC)cc23)CC1
InChIInChI=1S/C18H25N3O2/c1-4-20-7-9-21(10-8-20)18(22)12-15-13(2)19-17-6-5-14(23-3)11-16(15)17/h5-6,11,19H,4,7-10,12H2,1-3H3
InChIKeySGLOONVPBIEVRG-UHFFFAOYSA-N
XLogP2.19
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 113212099
2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 113211873
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 113212148
2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 51072972
2-(5-chloro-2-methyl-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 113211930
ethyl 4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 31899581
N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212208
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31858024
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide
CID 113212201
2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]ethanone
CID 86905280
(4S)-N-hydroxy-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylhexanamide
CID 10292070

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone (CID 113212097) is 1-(4-ethylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone is CCN1CCN(C(=O)Cc2c(C)[nH]c3ccc(OC)cc23)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is SGLOONVPBIEVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-20-7-9-21(10-8-20)18(22)12-15-13(2)19-17-6-5-14(23-3)11-16(15)17/h5-6,11,19H,4,7-10,12H2,1-3H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
1-(4-ethylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 315.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 113212097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).