4-amino-2-[(3R,4S)-2,6-dioxo-4-(trifluoromethyl)piperidin-3-yl]isoindole-1,3-dione

C14H10F3N3O4 — CID 155977946

IUPAC4-amino-2-[(3R,4S)-2,6-dioxo-4-(trifluoromethyl)piperidin-3-yl]isoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N([C@H]1C(=O)NC(=O)C[C@@H]1C(F)(F)F)C2=O
InChIInChI=1S/C14H10F3N3O4/c15-14(16,17)6-4-8(21)19-11(22)10(6)20-12(23)5-2-1-3-7(18)9(5)13(20)24/h1-3,6,10H,4,18H2,(H,19,21,22)/t6-,10+/m0/s1
InChIKeyIIWFMBJLVMTYEO-QUBYGPBYSA-N
MW341.25 g/mol
LogP0.46
Rot. Bonds1

About 4-amino-2-[(3R,4S)-2,6-dioxo-4-(trifluoromethyl)piperidin-3-yl]isoindole-1,3-dione

4-amino-2-[(3R,4S)-2,6-dioxo-4-(trifluoromethyl)piperidin-3-yl]isoindole-1,3-dione (PubChem CID 155977946) has the molecular formula C14H10F3N3O4 and a molecular weight of 341.25 g/mol. Its IUPAC name is 4-amino-2-[(3R,4S)-2,6-dioxo-4-(trifluoromethyl)piperidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-[(3R,4S)-2,6-dioxo-4-(trifluoromethyl)piperidin-3-yl]isoindole-1,3-dione
PubChem CID155977946
Molecular FormulaC14H10F3N3O4
Molecular Weight341.25 g/mol
Exact Mass341.06
IUPAC Name4-amino-2-[(3R,4S)-2,6-dioxo-4-(trifluoromethyl)piperidin-3-yl]isoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N([C@H]1C(=O)NC(=O)C[C@@H]1C(F)(F)F)C2=O
InChIInChI=1S/C14H10F3N3O4/c15-14(16,17)6-4-8(21)19-11(22)10(6)20-12(23)5-2-1-3-7(18)9(5)13(20)24/h1-3,6,10H,4,18H2,(H,19,21,22)/t6-,10+/m0/s1
InChIKeyIIWFMBJLVMTYEO-QUBYGPBYSA-N
XLogP0.46
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-2-[(3R,4S)-2,6-dioxo-4-(trifluoromethyl)piperidin-3-yl]isoindole-1,3-dione with MolForge

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Related Compounds

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione
CID 154595724
4-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;4-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;4,7-diamino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4,7-dichloro-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159696058
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 158795821
4-amino-2-[(3R)-3,4,4-trideuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 57388221
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 25135307
2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione
CID 170907328
4-amino-2-(5,5-diamino-4,4-dihydroxy-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 123438614
4-amino-2-[(3S)-7-methoxy-2-oxoazepan-3-yl]isoindole-1,3-dione
CID 145194146
4-amino-2-(4-methylcyclohexyl)isoindole-1,3-dione
CID 43209492

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3R,4S)-2,6-dioxo-4-(trifluoromethyl)piperidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 4-amino-2-[(3R,4S)-2,6-dioxo-4-(trifluoromethyl)piperidin-3-yl]isoindole-1,3-dione (CID 155977946) is 4-amino-2-[(3R,4S)-2,6-dioxo-4-(trifluoromethyl)piperidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-[(3R,4S)-2,6-dioxo-4-(trifluoromethyl)piperidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-[(3R,4S)-2,6-dioxo-4-(trifluoromethyl)piperidin-3-yl]isoindole-1,3-dione is Nc1cccc2c1C(=O)N([C@H]1C(=O)NC(=O)C[C@@H]1C(F)(F)F)C2=O.
What is the InChIKey of 4-amino-2-[(3R,4S)-2,6-dioxo-4-(trifluoromethyl)piperidin-3-yl]isoindole-1,3-dione?
The InChIKey is IIWFMBJLVMTYEO-QUBYGPBYSA-N. The full InChI is InChI=1S/C14H10F3N3O4/c15-14(16,17)6-4-8(21)19-11(22)10(6)20-12(23)5-2-1-3-7(18)9(5)13(20)24/h1-3,6,10H,4,18H2,(H,19,21,22)/t6-,10+/m0/s1.
What are the key properties of 4-amino-2-[(3R,4S)-2,6-dioxo-4-(trifluoromethyl)piperidin-3-yl]isoindole-1,3-dione?
4-amino-2-[(3R,4S)-2,6-dioxo-4-(trifluoromethyl)piperidin-3-yl]isoindole-1,3-dione has a molecular weight of 341.25 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3R,4S)-2,6-dioxo-4-(trifluoromethyl)piperidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 155977946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).