1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

C23H26FN3O2 — CID 166519396

IUPAC1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(=O)N1CCc2cc(C(=O)CCN3CCN(c4ccccc4F)CC3)ccc21
InChIInChI=1S/C23H26FN3O2/c1-17(28)27-11-8-18-16-19(6-7-21(18)27)23(29)9-10-25-12-14-26(15-13-25)22-5-3-2-4-20(22)24/h2-7,16H,8-15H2,1H3
InChIKeyJCXQMNADXJIDIF-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.13
Rot. Bonds5

About 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 166519396) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID166519396
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(=O)N1CCc2cc(C(=O)CCN3CCN(c4ccccc4F)CC3)ccc21
InChIInChI=1S/C23H26FN3O2/c1-17(28)27-11-8-18-16-19(6-7-21(18)27)23(29)9-10-25-12-14-26(15-13-25)22-5-3-2-4-20(22)24/h2-7,16H,8-15H2,1H3
InChIKeyJCXQMNADXJIDIF-UHFFFAOYSA-N
XLogP3.13
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 166519389
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one
CID 82136459
5-[3-[4-(2-chlorophenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide
CID 166519378
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one
CID 94724136
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 20866210
1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 2982236
1-acetyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 46412762
1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 51265836
5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide
CID 166519385
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347038
N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 109029942
1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 29264486

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one (CID 166519396) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one is CC(=O)N1CCc2cc(C(=O)CCN3CCN(c4ccccc4F)CC3)ccc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is JCXQMNADXJIDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-17(28)27-11-8-18-16-19(6-7-21(18)27)23(29)9-10-25-12-14-26(15-13-25)22-5-3-2-4-20(22)24/h2-7,16H,8-15H2,1H3.
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 395.48 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 166519396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).