4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one

C22H22FN3O2 — CID 70724139

IUPAC4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1N1CCN(C(=O)Cc2c(C)[nH]c3c(F)cccc23)CC1=O
InChIInChI=1S/C22H22FN3O2/c1-14-6-3-4-9-19(14)26-11-10-25(13-21(26)28)20(27)12-17-15(2)24-22-16(17)7-5-8-18(22)23/h3-9,24H,10-13H2,1-2H3
InChIKeyDOYFNNOLLAEYSW-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.34
Rot. Bonds3

About 4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one

4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one (PubChem CID 70724139) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one
PubChem CID70724139
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1N1CCN(C(=O)Cc2c(C)[nH]c3c(F)cccc23)CC1=O
InChIInChI=1S/C22H22FN3O2/c1-14-6-3-4-9-19(14)26-11-10-25(13-21(26)28)20(27)12-17-15(2)24-22-16(17)7-5-8-18(22)23/h3-9,24H,10-13H2,1-2H3
InChIKeyDOYFNNOLLAEYSW-UHFFFAOYSA-N
XLogP3.34
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one
CID 70746172
4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one
CID 70774679
5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 70731802
(5R)-9-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95717790
(3R)-3-benzyl-4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperazin-2-one
CID 97128140
1-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethanone
CID 97131804
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone
CID 78852452
4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one
CID 96571606
2-(2-chloro-6-fluorophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 112766383
1-(2-methylphenyl)-4-(2-phenylbenzoyl)piperazin-2-one
CID 70760494
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31858024
1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one
CID 70741081

Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one?
The IUPAC name of 4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one (CID 70724139) is 4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one is Cc1ccccc1N1CCN(C(=O)Cc2c(C)[nH]c3c(F)cccc23)CC1=O.
What is the InChIKey of 4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one?
The InChIKey is DOYFNNOLLAEYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-14-6-3-4-9-19(14)26-11-10-25(13-21(26)28)20(27)12-17-15(2)24-22-16(17)7-5-8-18(22)23/h3-9,24H,10-13H2,1-2H3.
What are the key properties of 4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one?
4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one has a molecular weight of 379.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70724139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).