1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one

C24H28FN3O2 — CID 55960141

IUPAC1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one
SMILESCC(CC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H28FN3O2/c1-18(19-6-8-21(25)9-7-19)16-23(29)27-14-12-26(13-15-27)17-24(30)28-11-10-20-4-2-3-5-22(20)28/h2-9,18H,10-17H2,1H3
InChIKeyFVXBIWZULSXNJX-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.05
Rot. Bonds5

About 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one

1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one (PubChem CID 55960141) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one
PubChem CID55960141
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one
SMILESCC(CC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H28FN3O2/c1-18(19-6-8-21(25)9-7-19)16-23(29)27-14-12-26(13-15-27)17-24(30)28-11-10-20-4-2-3-5-22(20)28/h2-9,18H,10-17H2,1H3
InChIKeyFVXBIWZULSXNJX-UHFFFAOYSA-N
XLogP3.05
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one with MolForge

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)butanamide
CID 110619443
3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one
CID 104502030
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719141
N-(4-butan-2-ylphenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 78899808
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)butanoate
CID 60541629
3-(4-fluorophenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]butan-1-one
CID 55924108
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 119134857
2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride
CID 120669812
1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone
CID 91833895
1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one
CID 110352133
(2S)-2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119857356
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9207032

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one?
The IUPAC name of 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one (CID 55960141) is 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one is CC(CC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one?
The InChIKey is FVXBIWZULSXNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-18(19-6-8-21(25)9-7-19)16-23(29)27-14-12-26(13-15-27)17-24(30)28-11-10-20-4-2-3-5-22(20)28/h2-9,18H,10-17H2,1H3.
What are the key properties of 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one?
1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one has a molecular weight of 409.51 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 55960141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).