1-(1-acetylindol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

C23H25N3O3 — CID 5307983

IUPAC1-(1-acetylindol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(CC(=O)c2ccc3ccn(C(C)=O)c3c2)CC1
InChIInChI=1S/C23H25N3O3/c1-17(27)26-10-9-18-7-8-19(15-21(18)26)22(28)16-24-11-13-25(14-12-24)20-5-3-4-6-23(20)29-2/h3-10,15H,11-14,16H2,1-2H3
InChIKeyGITMQZVLTGIEGJ-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.31
Rot. Bonds5

About 1-(1-acetylindol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

1-(1-acetylindol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 5307983) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-(1-acetylindol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(1-acetylindol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID5307983
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-(1-acetylindol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(CC(=O)c2ccc3ccn(C(C)=O)c3c2)CC1
InChIInChI=1S/C23H25N3O3/c1-17(27)26-10-9-18-7-8-19(15-21(18)26)22(28)16-24-11-13-25(14-12-24)20-5-3-4-6-23(20)29-2/h3-10,15H,11-14,16H2,1-2H3
InChIKeyGITMQZVLTGIEGJ-UHFFFAOYSA-N
XLogP3.31
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
Jwh 250
CID 44397540
Pravadoline
CID 56463
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
Pci-34051
CID 24753719
Unii-1U7V49ntqg
CID 10091392
N-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10454026
6-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10477871
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11165673
2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 11732785
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-pyridin-2-ylbenzamide
CID 44427818
[1-(Cyclohexylmethyl)-7-methoxy-1H-indol-3-yl][(3R,5S)-3,4,5-trimethyl-1-piperazinyl]methanone
CID 49862666

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylindol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(1-acetylindol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 5307983) is 1-(1-acetylindol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(1-acetylindol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(1-acetylindol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1N1CCN(CC(=O)c2ccc3ccn(C(C)=O)c3c2)CC1.
What is the InChIKey of 1-(1-acetylindol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is GITMQZVLTGIEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17(27)26-10-9-18-7-8-19(15-21(18)26)22(28)16-24-11-13-25(14-12-24)20-5-3-4-6-23(20)29-2/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 1-(1-acetylindol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
1-(1-acetylindol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 391.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylindol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 5307983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).