1-cyclopentyl-3-phenylpyrrolidine;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] hypofluorite

C28H32FN3O4 — CID 166469192

IUPAC1-cyclopentyl-3-phenylpyrrolidine;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] hypofluorite
SMILESO=C1CCC(N2Cc3cc(OF)ccc3C2=O)C(=O)N1.c1ccc(C2CCN(C3CCCC3)C2)cc1
InChIInChI=1S/C15H21N.C13H11FN2O4/c1-2-6-13(7-3-1)14-10-11-16(12-14)15-8-4-5-9-15;14-20-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18/h1-3,6-7,14-15H,4-5,8-12H2;1-2,5,10H,3-4,6H2,(H,15,17,18)
InChIKeyZYJNQYIDGDRXTL-UHFFFAOYSA-N
MW493.58 g/mol
LogP4.13
Rot. Bonds4

About 1-cyclopentyl-3-phenylpyrrolidine;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] hypofluorite

1-cyclopentyl-3-phenylpyrrolidine;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] hypofluorite (PubChem CID 166469192) has the molecular formula C28H32FN3O4 and a molecular weight of 493.58 g/mol. Its IUPAC name is 1-cyclopentyl-3-phenylpyrrolidine;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] hypofluorite.

Molecular Properties

Compound Name1-cyclopentyl-3-phenylpyrrolidine;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] hypofluorite
PubChem CID166469192
Molecular FormulaC28H32FN3O4
Molecular Weight493.58 g/mol
Exact Mass493.24
IUPAC Name1-cyclopentyl-3-phenylpyrrolidine;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] hypofluorite
SMILESO=C1CCC(N2Cc3cc(OF)ccc3C2=O)C(=O)N1.c1ccc(C2CCN(C3CCCC3)C2)cc1
InChIInChI=1S/C15H21N.C13H11FN2O4/c1-2-6-13(7-3-1)14-10-11-16(12-14)15-8-4-5-9-15;14-20-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18/h1-3,6-7,14-15H,4-5,8-12H2;1-2,5,10H,3-4,6H2,(H,15,17,18)
InChIKeyZYJNQYIDGDRXTL-UHFFFAOYSA-N
XLogP4.13
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[3-oxo-6-[(1S,2S)-2-(3-phenylpyrrolidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169030297
3-[3-oxo-6-[(1S,2R)-2-(3-phenylpyrrolidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166469050
3-[3-oxo-6-[(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167306989
3-[3-oxo-6-[(1S,2R)-2-(3-phenylazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167307189
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine
CID 166468834
3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine
CID 166469154
(3R)-3-[6-[(1S,2R)-2-[3-(4-fluorophenyl)azetidin-1-yl]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167307192
3-[6-[(1S,2S)-2-[3-[4-(difluoromethoxy)phenyl]azetidin-1-yl]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166468838
3-[6-[(1R,2R)-2-[3-[4-(difluoromethoxy)phenyl]azetidin-1-yl]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167306987
3-[3-oxo-6-[(1S,2R)-2-[(2R)-2-phenylazetidin-1-yl]cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169030293
3-[6-[(3R,4R)-4-(benzylamino)-1-cyclopropylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169012612
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146300156

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-phenylpyrrolidine;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] hypofluorite?
The IUPAC name of 1-cyclopentyl-3-phenylpyrrolidine;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] hypofluorite (CID 166469192) is 1-cyclopentyl-3-phenylpyrrolidine;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] hypofluorite.
What is the SMILES notation for 1-cyclopentyl-3-phenylpyrrolidine;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] hypofluorite?
The canonical SMILES for 1-cyclopentyl-3-phenylpyrrolidine;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] hypofluorite is O=C1CCC(N2Cc3cc(OF)ccc3C2=O)C(=O)N1.c1ccc(C2CCN(C3CCCC3)C2)cc1.
What is the InChIKey of 1-cyclopentyl-3-phenylpyrrolidine;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] hypofluorite?
The InChIKey is ZYJNQYIDGDRXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.C13H11FN2O4/c1-2-6-13(7-3-1)14-10-11-16(12-14)15-8-4-5-9-15;14-20-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18/h1-3,6-7,14-15H,4-5,8-12H2;1-2,5,10H,3-4,6H2,(H,15,17,18).
What are the key properties of 1-cyclopentyl-3-phenylpyrrolidine;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] hypofluorite?
1-cyclopentyl-3-phenylpyrrolidine;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] hypofluorite has a molecular weight of 493.58 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-phenylpyrrolidine;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] hypofluorite is sourced from PubChem (CID 166469192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).