[2-(3-fluorophenyl)-5,6-dimethyl-1,3-dihydroisoindol-1-yl]-(4-methylpiperazin-1-yl)methanone

C22H26FN3O — CID 141201390

IUPAC[2-(3-fluorophenyl)-5,6-dimethyl-1,3-dihydroisoindol-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc2c(cc1C)C(C(=O)N1CCN(C)CC1)N(c1cccc(F)c1)C2
InChIInChI=1S/C22H26FN3O/c1-15-11-17-14-26(19-6-4-5-18(23)13-19)21(20(17)12-16(15)2)22(27)25-9-7-24(3)8-10-25/h4-6,11-13,21H,7-10,14H2,1-3H3
InChIKeyBARZJORIDBHIQX-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.28
Rot. Bonds2

About [2-(3-fluorophenyl)-5,6-dimethyl-1,3-dihydroisoindol-1-yl]-(4-methylpiperazin-1-yl)methanone

[2-(3-fluorophenyl)-5,6-dimethyl-1,3-dihydroisoindol-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 141201390) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-5,6-dimethyl-1,3-dihydroisoindol-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-5,6-dimethyl-1,3-dihydroisoindol-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID141201390
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name[2-(3-fluorophenyl)-5,6-dimethyl-1,3-dihydroisoindol-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc2c(cc1C)C(C(=O)N1CCN(C)CC1)N(c1cccc(F)c1)C2
InChIInChI=1S/C22H26FN3O/c1-15-11-17-14-26(19-6-4-5-18(23)13-19)21(20(17)12-16(15)2)22(27)25-9-7-24(3)8-10-25/h4-6,11-13,21H,7-10,14H2,1-3H3
InChIKeyBARZJORIDBHIQX-UHFFFAOYSA-N
XLogP3.28
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(3-fluorophenyl)-5,6-dimethyl-1,3-dihydroisoindol-1-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-3-{4-[4-(4-fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 24854187
2-[4-(dimethylamino)phenyl]-6-methyl-3H-isoindol-1-one
CID 25266665
5-{[4-(4-Fluorophenyl)piperazin-1-yl]carbonyl}-1-(4-methylbenzyl)pyrrolidin-2-one
CID 3240795
(3,4-Dimethylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1012371
(1S)-N-(2,6-difluorophenyl)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-1,3-dihydroisoindole-1-carboxamide
CID 73296970
(2S)-1-[3-[4-(2,6-dimethylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
CID 70690760
2-[4-[4-(2,3-Difluorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 145993896
2-(4-Benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4839240
5-[(4-benzylpiperazin-1-yl)carbonyl]-2-(4-methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 1263068
5-(4-(2-Fluorophenyl)piperazine-1-carbonyl)-2-(p-tolyl)isoindoline-1,3-dione
CID 1263070
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 9799123
11-[4-[(4-Methylphenyl)methyl]piperazin-1-yl]-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-12-one
CID 9799781

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-5,6-dimethyl-1,3-dihydroisoindol-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3-fluorophenyl)-5,6-dimethyl-1,3-dihydroisoindol-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 141201390) is [2-(3-fluorophenyl)-5,6-dimethyl-1,3-dihydroisoindol-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3-fluorophenyl)-5,6-dimethyl-1,3-dihydroisoindol-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3-fluorophenyl)-5,6-dimethyl-1,3-dihydroisoindol-1-yl]-(4-methylpiperazin-1-yl)methanone is Cc1cc2c(cc1C)C(C(=O)N1CCN(C)CC1)N(c1cccc(F)c1)C2.
What is the InChIKey of [2-(3-fluorophenyl)-5,6-dimethyl-1,3-dihydroisoindol-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is BARZJORIDBHIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-15-11-17-14-26(19-6-4-5-18(23)13-19)21(20(17)12-16(15)2)22(27)25-9-7-24(3)8-10-25/h4-6,11-13,21H,7-10,14H2,1-3H3.
What are the key properties of [2-(3-fluorophenyl)-5,6-dimethyl-1,3-dihydroisoindol-1-yl]-(4-methylpiperazin-1-yl)methanone?
[2-(3-fluorophenyl)-5,6-dimethyl-1,3-dihydroisoindol-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 367.47 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-5,6-dimethyl-1,3-dihydroisoindol-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 141201390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).