1-(4-ethylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone

C17H23N3O2 — CID 110849938

IUPAC1-(4-ethylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2c[nH]c3c(OC)cccc23)CC1
InChIInChI=1S/C17H23N3O2/c1-3-19-7-9-20(10-8-19)16(21)11-13-12-18-17-14(13)5-4-6-15(17)22-2/h4-6,12,18H,3,7-11H2,1-2H3
InChIKeySVONDEKZSBRAHT-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.88
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone

1-(4-ethylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone (PubChem CID 110849938) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone
PubChem CID110849938
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2c[nH]c3c(OC)cccc23)CC1
InChIInChI=1S/C17H23N3O2/c1-3-19-7-9-20(10-8-19)16(21)11-13-12-18-17-14(13)5-4-6-15(17)22-2/h4-6,12,18H,3,7-11H2,1-2H3
InChIKeySVONDEKZSBRAHT-UHFFFAOYSA-N
XLogP1.88
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone
CID 110856311
2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 51072972
1-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113003701
N-cyclopentyl-2-(7-methoxy-1H-indol-3-yl)acetamide
CID 110848702
N-(2,6-dimethoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108867993
2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110769554
2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 78890809
2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
CID 136521359
N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 51263125
2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110767784
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-(7-ethyl-1H-indol-3-yl)ethanone
CID 86904029
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)acetic acid
CID 29137217

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone (CID 110849938) is 1-(4-ethylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone is CCN1CCN(C(=O)Cc2c[nH]c3c(OC)cccc23)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone?
The InChIKey is SVONDEKZSBRAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-19-7-9-20(10-8-19)16(21)11-13-12-18-17-14(13)5-4-6-15(17)22-2/h4-6,12,18H,3,7-11H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone?
1-(4-ethylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone has a molecular weight of 301.39 g/mol, XLogP of 1.88, 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-(7-methoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 110849938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).