1-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone

C20H23N3O2 — CID 8690884

IUPAC1-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccc(O)cc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C20H23N3O2/c24-18-7-5-17(6-8-18)22-13-11-21(12-14-22)15-20(25)23-10-9-16-3-1-2-4-19(16)23/h1-8,24H,9-15H2
InChIKeyIYLXOVDOCZJEQK-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.10
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone (PubChem CID 8690884) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
PubChem CID8690884
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccc(O)cc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C20H23N3O2/c24-18-7-5-17(6-8-18)22-13-11-21(12-14-22)15-20(25)23-10-9-16-3-1-2-4-19(16)23/h1-8,24H,9-15H2
InChIKeyIYLXOVDOCZJEQK-UHFFFAOYSA-N
XLogP2.10
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone (CID 8690884) is 1-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone is O=C(CN1CCN(c2ccc(O)cc2)CC1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is IYLXOVDOCZJEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-18-7-5-17(6-8-18)22-13-11-21(12-14-22)15-20(25)23-10-9-16-3-1-2-4-19(16)23/h1-8,24H,9-15H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 337.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 8690884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).