2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(3-methylcyclohexyl)ethyl]-3H-isoindole-5-carboxamide

C23H26F3N3O4 — CID 155350197

IUPAC2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(3-methylcyclohexyl)ethyl]-3H-isoindole-5-carboxamide
SMILESCC1CCCC(C(NC(=O)c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C(F)(F)F)C1
InChIInChI=1S/C23H26F3N3O4/c1-12-3-2-4-13(9-12)19(23(24,25)26)28-20(31)14-5-6-16-15(10-14)11-29(22(16)33)17-7-8-18(30)27-21(17)32/h5-6,10,12-13,17,19H,2-4,7-9,11H2,1H3,(H,28,31)(H,27,30,32)
InChIKeyQYZLVSRDZNUNMN-UHFFFAOYSA-N
MW465.47 g/mol
LogP2.93
Rot. Bonds4

About 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(3-methylcyclohexyl)ethyl]-3H-isoindole-5-carboxamide

2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(3-methylcyclohexyl)ethyl]-3H-isoindole-5-carboxamide (PubChem CID 155350197) has the molecular formula C23H26F3N3O4 and a molecular weight of 465.47 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(3-methylcyclohexyl)ethyl]-3H-isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(3-methylcyclohexyl)ethyl]-3H-isoindole-5-carboxamide
PubChem CID155350197
Molecular FormulaC23H26F3N3O4
Molecular Weight465.47 g/mol
Exact Mass465.19
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(3-methylcyclohexyl)ethyl]-3H-isoindole-5-carboxamide
SMILESCC1CCCC(C(NC(=O)c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C(F)(F)F)C1
InChIInChI=1S/C23H26F3N3O4/c1-12-3-2-4-13(9-12)19(23(24,25)26)28-20(31)14-5-6-16-15(10-14)11-29(22(16)33)17-7-8-18(30)27-21(17)32/h5-6,10,12-13,17,19H,2-4,7-9,11H2,1H3,(H,28,31)(H,27,30,32)
InChIKeyQYZLVSRDZNUNMN-UHFFFAOYSA-N
XLogP2.93
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(S)-cyclodecyl(cyclononyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 167231206
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-3H-isoindole-5-carboxamide
CID 155338677
2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-3H-isoindole-5-carboxamide
CID 155338947
2-(2,6-dioxopiperidin-3-yl)-N-(3-methylbutan-2-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338775
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-3H-isoindole-5-carboxamide
CID 155338795
N-[1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338801
N-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 167231155
N-[(1R)-1-(4-cyanophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155339050
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[(1S)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]-3H-isoindole-5-carboxamide
CID 155338913
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]-3H-isoindole-5-carboxamide
CID 155732541
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155339091
N-[1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338810

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(3-methylcyclohexyl)ethyl]-3H-isoindole-5-carboxamide?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(3-methylcyclohexyl)ethyl]-3H-isoindole-5-carboxamide (CID 155350197) is 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(3-methylcyclohexyl)ethyl]-3H-isoindole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(3-methylcyclohexyl)ethyl]-3H-isoindole-5-carboxamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(3-methylcyclohexyl)ethyl]-3H-isoindole-5-carboxamide is CC1CCCC(C(NC(=O)c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C(F)(F)F)C1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(3-methylcyclohexyl)ethyl]-3H-isoindole-5-carboxamide?
The InChIKey is QYZLVSRDZNUNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O4/c1-12-3-2-4-13(9-12)19(23(24,25)26)28-20(31)14-5-6-16-15(10-14)11-29(22(16)33)17-7-8-18(30)27-21(17)32/h5-6,10,12-13,17,19H,2-4,7-9,11H2,1H3,(H,28,31)(H,27,30,32).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(3-methylcyclohexyl)ethyl]-3H-isoindole-5-carboxamide?
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(3-methylcyclohexyl)ethyl]-3H-isoindole-5-carboxamide has a molecular weight of 465.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(3-methylcyclohexyl)ethyl]-3H-isoindole-5-carboxamide is sourced from PubChem (CID 155350197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).