1-(1,3-dihydroisoindol-2-yl)-3-nonan-2-ylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid

C24H33F3N2O4 — CID 175973125

IUPAC1-(1,3-dihydroisoindol-2-yl)-3-nonan-2-ylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid
SMILESCCCCCCCC(C)C1CCC(=O)N(N2Cc3ccccc3C2)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C22H32N2O2.C2HF3O2/c1-3-4-5-6-7-10-17(2)20-13-14-21(25)24(22(20)26)23-15-18-11-8-9-12-19(18)16-23;3-2(4,5)1(6)7/h8-9,11-12,17,20H,3-7,10,13-16H2,1-2H3;(H,6,7)
InChIKeyZYROBTLVPDEFHZ-UHFFFAOYSA-N
MW470.53 g/mol
LogP5.31
Rot. Bonds8

About 1-(1,3-dihydroisoindol-2-yl)-3-nonan-2-ylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid

1-(1,3-dihydroisoindol-2-yl)-3-nonan-2-ylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid (PubChem CID 175973125) has the molecular formula C24H33F3N2O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)-3-nonan-2-ylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)-3-nonan-2-ylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid
PubChem CID175973125
Molecular FormulaC24H33F3N2O4
Molecular Weight470.53 g/mol
Exact Mass470.24
IUPAC Name1-(1,3-dihydroisoindol-2-yl)-3-nonan-2-ylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid
SMILESCCCCCCCC(C)C1CCC(=O)N(N2Cc3ccccc3C2)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C22H32N2O2.C2HF3O2/c1-3-4-5-6-7-10-17(2)20-13-14-21(25)24(22(20)26)23-15-18-11-8-9-12-19(18)16-23;3-2(4,5)1(6)7/h8-9,11-12,17,20H,3-7,10,13-16H2,1-2H3;(H,6,7)
InChIKeyZYROBTLVPDEFHZ-UHFFFAOYSA-N
XLogP5.31
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1,3-dihydroisoindol-2-yl)-3-nonan-2-ylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-3-nonan-2-ylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-3-nonan-2-ylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid (CID 175973125) is 1-(1,3-dihydroisoindol-2-yl)-3-nonan-2-ylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)-3-nonan-2-ylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)-3-nonan-2-ylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid is CCCCCCCC(C)C1CCC(=O)N(N2Cc3ccccc3C2)C1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)-3-nonan-2-ylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid?
The InChIKey is ZYROBTLVPDEFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2.C2HF3O2/c1-3-4-5-6-7-10-17(2)20-13-14-21(25)24(22(20)26)23-15-18-11-8-9-12-19(18)16-23;3-2(4,5)1(6)7/h8-9,11-12,17,20H,3-7,10,13-16H2,1-2H3;(H,6,7).
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)-3-nonan-2-ylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid?
1-(1,3-dihydroisoindol-2-yl)-3-nonan-2-ylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid has a molecular weight of 470.53 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)-3-nonan-2-ylpiperidine-2,6-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175973125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).