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

C23H25N3O3 — CID 20866283

IUPAC1-(1-acetylindol-6-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(CC(=O)c3ccc4ccn(C(C)=O)c4c3)CC2)cc1
InChIInChI=1S/C23H25N3O3/c1-17(27)26-10-9-18-3-4-19(15-22(18)26)23(28)16-24-11-13-25(14-12-24)20-5-7-21(29-2)8-6-20/h3-10,15H,11-14,16H2,1-2H3
InChIKeyYZWJVUCXRYGUAB-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.31
Rot. Bonds5

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

1-(1-acetylindol-6-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 20866283) 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-(4-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(1-acetylindol-6-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID20866283
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-(1-acetylindol-6-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(CC(=O)c3ccc4ccn(C(C)=O)c4c3)CC2)cc1
InChIInChI=1S/C23H25N3O3/c1-17(27)26-10-9-18-3-4-19(15-22(18)26)23(28)16-24-11-13-25(14-12-24)20-5-7-21(29-2)8-6-20/h3-10,15H,11-14,16H2,1-2H3
InChIKeyYZWJVUCXRYGUAB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone
CID 5090901
1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 51363194
2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
1-(5-bromothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51363090
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680478
propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate
CID 60688983
N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 7935502
1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62777262
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylindol-6-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(1-acetylindol-6-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (CID 20866283) is 1-(1-acetylindol-6-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(1-acetylindol-6-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(1-acetylindol-6-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccc(N2CCN(CC(=O)c3ccc4ccn(C(C)=O)c4c3)CC2)cc1.
What is the InChIKey of 1-(1-acetylindol-6-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is YZWJVUCXRYGUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17(27)26-10-9-18-3-4-19(15-22(18)26)23(28)16-24-11-13-25(14-12-24)20-5-7-21(29-2)8-6-20/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 1-(1-acetylindol-6-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
1-(1-acetylindol-6-yl)-2-[4-(4-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-(4-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 20866283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).