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

C23H26FN3O2 — CID 26383352

IUPAC(2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(=O)c1ccc(N2CCN([C@@H](C)C(=O)N3CCc4ccccc43)CC2)c(F)c1
InChIInChI=1S/C23H26FN3O2/c1-16(23(29)27-10-9-18-5-3-4-6-21(18)27)25-11-13-26(14-12-25)22-8-7-19(17(2)28)15-20(22)24/h3-8,15-16H,9-14H2,1-2H3/t16-/m0/s1
InChIKeyDJGYHZFKOHNZLJ-INIZCTEOSA-N
MW395.48 g/mol
LogP3.13
Rot. Bonds4

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

(2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 26383352) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is (2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID26383352
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name(2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(=O)c1ccc(N2CCN([C@@H](C)C(=O)N3CCc4ccccc43)CC2)c(F)c1
InChIInChI=1S/C23H26FN3O2/c1-16(23(29)27-10-9-18-5-3-4-6-21(18)27)25-11-13-26(14-12-25)22-8-7-19(17(2)28)15-20(22)24/h3-8,15-16H,9-14H2,1-2H3/t16-/m0/s1
InChIKeyDJGYHZFKOHNZLJ-INIZCTEOSA-N
XLogP3.13
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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

(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 8725314
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one
CID 27206617
2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 42927804
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906465
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one
CID 1439229
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 51322795
1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone
CID 29275006
1-(2,3-dihydroindol-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 18094610
(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 2442399

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of (2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 26383352) is (2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one is CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)N3CCc4ccccc43)CC2)c(F)c1.
What is the InChIKey of (2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is DJGYHZFKOHNZLJ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-16(23(29)27-10-9-18-5-3-4-6-21(18)27)25-11-13-26(14-12-25)22-8-7-19(17(2)28)15-20(22)24/h3-8,15-16H,9-14H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
(2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 395.48 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 26383352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).