2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one

C23H26FN3O2 — CID 113209925

IUPAC2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)C(C)(C)c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C23H26FN3O2/c1-23(2,18-15-25-19-9-8-16(24)14-17(18)19)22(28)27-12-10-26(11-13-27)20-6-4-5-7-21(20)29-3/h4-9,14-15,25H,10-13H2,1-3H3
InChIKeyYTUMOLJSGFAMDR-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.94
Rot. Bonds4

About 2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one

2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 113209925) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID113209925
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)C(C)(C)c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C23H26FN3O2/c1-23(2,18-15-25-19-9-8-16(24)14-17(18)19)22(28)27-12-10-26(11-13-27)20-6-4-5-7-21(20)29-3/h4-9,14-15,25H,10-13H2,1-3H3
InChIKeyYTUMOLJSGFAMDR-UHFFFAOYSA-N
XLogP3.94
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one
CID 113209885
1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 113208075
[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113210609
2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 122157838
2-(5-chloro-1H-indol-3-yl)-2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 113210074
(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 93110505
3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one
CID 15675285
(6,8-difluoro-4-methoxyquinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 71824746
methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113209989
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108959153
2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 5075604
ethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate
CID 113208970

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one (CID 113209925) is 2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one is COc1ccccc1N1CCN(C(=O)C(C)(C)c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is YTUMOLJSGFAMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-23(2,18-15-25-19-9-8-16(24)14-17(18)19)22(28)27-12-10-26(11-13-27)20-6-4-5-7-21(20)29-3/h4-9,14-15,25H,10-13H2,1-3H3.
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one?
2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 395.48 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 113209925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).