1-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone

C21H24FN3O — CID 70980668

IUPAC1-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
SMILESC[C@@H]1CN(CC(=O)N2CCc3cc(F)c(-c4ccccc4)cc32)CCN1
InChIInChI=1S/C21H24FN3O/c1-15-13-24(10-8-23-15)14-21(26)25-9-7-17-11-19(22)18(12-20(17)25)16-5-3-2-4-6-16/h2-6,11-12,15,23H,7-10,13-14H2,1H3/t15-/m1/s1
InChIKeyWNDJXYITOMRITB-OAHLLOKOSA-N
MW353.44 g/mol
LogP2.68
Rot. Bonds3

About 1-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone

1-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone (PubChem CID 70980668) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
PubChem CID70980668
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name1-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
SMILESC[C@@H]1CN(CC(=O)N2CCc3cc(F)c(-c4ccccc4)cc32)CCN1
InChIInChI=1S/C21H24FN3O/c1-15-13-24(10-8-23-15)14-21(26)25-9-7-17-11-19(22)18(12-20(17)25)16-5-3-2-4-6-16/h2-6,11-12,15,23H,7-10,13-14H2,1H3/t15-/m1/s1
InChIKeyWNDJXYITOMRITB-OAHLLOKOSA-N
XLogP2.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone (CID 70980668) is 1-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone is C[C@@H]1CN(CC(=O)N2CCc3cc(F)c(-c4ccccc4)cc32)CCN1.
What is the InChIKey of 1-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
The InChIKey is WNDJXYITOMRITB-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-15-13-24(10-8-23-15)14-21(26)25-9-7-17-11-19(22)18(12-20(17)25)16-5-3-2-4-6-16/h2-6,11-12,15,23H,7-10,13-14H2,1H3/t15-/m1/s1.
What are the key properties of 1-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
1-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone has a molecular weight of 353.44 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 70980668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).