2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(2-morpholin-4-ylphenyl)ethyl]-3H-isoindole-5-carboxamide

C26H25F3N4O5 — CID 155338686

IUPAC2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(2-morpholin-4-ylphenyl)ethyl]-3H-isoindole-5-carboxamide
SMILESO=C1CCC(N2Cc3cc(C(=O)NC(c4ccccc4N4CCOCC4)C(F)(F)F)ccc3C2=O)C(=O)N1
InChIInChI=1S/C26H25F3N4O5/c27-26(28,29)22(18-3-1-2-4-19(18)32-9-11-38-12-10-32)31-23(35)15-5-6-17-16(13-15)14-33(25(17)37)20-7-8-21(34)30-24(20)36/h1-6,13,20,22H,7-12,14H2,(H,31,35)(H,30,34,36)
InChIKeyMKSIGNYBDFIXTO-UHFFFAOYSA-N
MW530.50 g/mol
LogP2.32
Rot. Bonds5

About 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(2-morpholin-4-ylphenyl)ethyl]-3H-isoindole-5-carboxamide

2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(2-morpholin-4-ylphenyl)ethyl]-3H-isoindole-5-carboxamide (PubChem CID 155338686) has the molecular formula C26H25F3N4O5 and a molecular weight of 530.50 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(2-morpholin-4-ylphenyl)ethyl]-3H-isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(2-morpholin-4-ylphenyl)ethyl]-3H-isoindole-5-carboxamide
PubChem CID155338686
Molecular FormulaC26H25F3N4O5
Molecular Weight530.50 g/mol
Exact Mass530.18
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(2-morpholin-4-ylphenyl)ethyl]-3H-isoindole-5-carboxamide
SMILESO=C1CCC(N2Cc3cc(C(=O)NC(c4ccccc4N4CCOCC4)C(F)(F)F)ccc3C2=O)C(=O)N1
InChIInChI=1S/C26H25F3N4O5/c27-26(28,29)22(18-3-1-2-4-19(18)32-9-11-38-12-10-32)31-23(35)15-5-6-17-16(13-15)14-33(25(17)37)20-7-8-21(34)30-24(20)36/h1-6,13,20,22H,7-12,14H2,(H,31,35)(H,30,34,36)
InChIKeyMKSIGNYBDFIXTO-UHFFFAOYSA-N
XLogP2.32
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.50
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
N-[1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338801
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-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-3H-isoindole-5-carboxamide
CID 155338795
N-[1-[2-chloro-4-[(dimethylamino)methyl]phenyl]-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338838
N-[1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338810
N-[1-(3-chloro-5-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338858
N-[(1R)-1-(5-chloro-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide
CID 175712709
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]-3H-isoindole-5-carboxamide
CID 155732541
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-[2,2,2-trifluoro-1-(3-methylcyclohexyl)ethyl]-3H-isoindole-5-carboxamide
CID 155350197

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(2-morpholin-4-ylphenyl)ethyl]-3H-isoindole-5-carboxamide?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(2-morpholin-4-ylphenyl)ethyl]-3H-isoindole-5-carboxamide (CID 155338686) is 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(2-morpholin-4-ylphenyl)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-(2-morpholin-4-ylphenyl)ethyl]-3H-isoindole-5-carboxamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(2-morpholin-4-ylphenyl)ethyl]-3H-isoindole-5-carboxamide is O=C1CCC(N2Cc3cc(C(=O)NC(c4ccccc4N4CCOCC4)C(F)(F)F)ccc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(2-morpholin-4-ylphenyl)ethyl]-3H-isoindole-5-carboxamide?
The InChIKey is MKSIGNYBDFIXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O5/c27-26(28,29)22(18-3-1-2-4-19(18)32-9-11-38-12-10-32)31-23(35)15-5-6-17-16(13-15)14-33(25(17)37)20-7-8-21(34)30-24(20)36/h1-6,13,20,22H,7-12,14H2,(H,31,35)(H,30,34,36).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(2-morpholin-4-ylphenyl)ethyl]-3H-isoindole-5-carboxamide?
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(2-morpholin-4-ylphenyl)ethyl]-3H-isoindole-5-carboxamide has a molecular weight of 530.50 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-(2-morpholin-4-ylphenyl)ethyl]-3H-isoindole-5-carboxamide is sourced from PubChem (CID 155338686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).