3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione

C24H17F3N2O3 — CID 163259374

IUPAC3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)c3cc(Cc4ccc(C(F)(F)F)cc4)cc4cccc2c34)C(=O)N1
InChIInChI=1S/C24H17F3N2O3/c25-24(26,27)16-6-4-13(5-7-16)10-14-11-15-2-1-3-18-21(15)17(12-14)23(32)29(18)19-8-9-20(30)28-22(19)31/h1-7,11-12,19H,8-10H2,(H,28,30,31)
InChIKeyMRSVSOBWDGSYOU-UHFFFAOYSA-N
MW438.41 g/mol
LogP4.21
Rot. Bonds3

About 3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione

3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione (PubChem CID 163259374) has the molecular formula C24H17F3N2O3 and a molecular weight of 438.41 g/mol. Its IUPAC name is 3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione
PubChem CID163259374
Molecular FormulaC24H17F3N2O3
Molecular Weight438.41 g/mol
Exact Mass438.12
IUPAC Name3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)c3cc(Cc4ccc(C(F)(F)F)cc4)cc4cccc2c34)C(=O)N1
InChIInChI=1S/C24H17F3N2O3/c25-24(26,27)16-6-4-13(5-7-16)10-14-11-15-2-1-3-18-21(15)17(12-14)23(32)29(18)19-8-9-20(30)28-22(19)31/h1-7,11-12,19H,8-10H2,(H,28,30,31)
InChIKeyMRSVSOBWDGSYOU-UHFFFAOYSA-N
XLogP4.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 167009203
tert-butyl N-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]propyl]carbamate
CID 177280181
3-(2-oxo-5-sulfanylbenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 163258587
2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione
CID 163258710
3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione
CID 167009255
3-[5-[4-hydroxy-3,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 177017730
3-[1-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]-4-methoxypiperidin-4-yl]-2,2-dimethylpropanal
CID 163259384
tert-butyl N-[(E)-3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]prop-2-enyl]carbamate
CID 177280230
3-[1-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]-4-fluoropiperidin-4-yl]-2-methylpropanoic acid
CID 163259082
1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;3-(2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 167699772
4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]benzaldehyde
CID 155195102
3-[5-[methyl(2,2,2-trifluoroethyl)amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163258558

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione (CID 163259374) is 3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione is O=C1CCC(N2C(=O)c3cc(Cc4ccc(C(F)(F)F)cc4)cc4cccc2c34)C(=O)N1.
What is the InChIKey of 3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione?
The InChIKey is MRSVSOBWDGSYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O3/c25-24(26,27)16-6-4-13(5-7-16)10-14-11-15-2-1-3-18-21(15)17(12-14)23(32)29(18)19-8-9-20(30)28-22(19)31/h1-7,11-12,19H,8-10H2,(H,28,30,31).
What are the key properties of 3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione?
3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione has a molecular weight of 438.41 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 163259374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).