2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone

C23H26ClN3O2 — CID 112829151

IUPAC2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
SMILESCC1Cc2ccccc2N1C(=O)CN1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26ClN3O2/c1-17-14-19-4-2-3-5-21(19)27(17)23(29)16-25-10-12-26(13-11-25)22(28)15-18-6-8-20(24)9-7-18/h2-9,17H,10-16H2,1H3
InChIKeySXYKHYADZIJKIT-UHFFFAOYSA-N
MW411.93 g/mol
LogP3.00
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone

2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone (PubChem CID 112829151) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
PubChem CID112829151
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
SMILESCC1Cc2ccccc2N1C(=O)CN1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26ClN3O2/c1-17-14-19-4-2-3-5-21(19)27(17)23(29)16-25-10-12-26(13-11-25)22(28)15-18-6-8-20(24)9-7-18/h2-9,17H,10-16H2,1H3
InChIKeySXYKHYADZIJKIT-UHFFFAOYSA-N
XLogP3.00
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 41066115
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
3-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100589425
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 51632378
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 41325271
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
2-(4-hydroxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 78838862
1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetyl]-2,3-dihydroindole-2-carboxylic acid
CID 22629627
N-(2-chlorophenyl)-2-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 9434251
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8690886
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 8579130

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone (CID 112829151) is 2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone is CC1Cc2ccccc2N1C(=O)CN1CCN(C(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone?
The InChIKey is SXYKHYADZIJKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-17-14-19-4-2-3-5-21(19)27(17)23(29)16-25-10-12-26(13-11-25)22(28)15-18-6-8-20(24)9-7-18/h2-9,17H,10-16H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone has a molecular weight of 411.93 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112829151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).