5-[(4R)-4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-3-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C24H27FN4O4 — CID 163294617

IUPAC5-[(4R)-4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-3-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(N4CC[C@H](CN5CC6CC6C5)C(F)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C24H27FN4O4/c25-19-12-28(6-5-13(19)9-27-10-14-7-15(14)11-27)16-1-2-17-18(8-16)24(33)29(23(17)32)20-3-4-21(30)26-22(20)31/h1-2,8,13-15,19-20H,3-7,9-12H2,(H,26,30,31)/t13-,14?,15?,19?,20?/m1/s1
InChIKeyOPWJCGFQOCGOHW-ZWQILZKASA-N
MW454.50 g/mol
LogP1.20
Rot. Bonds4

About 5-[(4R)-4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-3-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[(4R)-4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-3-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 163294617) has the molecular formula C24H27FN4O4 and a molecular weight of 454.50 g/mol. Its IUPAC name is 5-[(4R)-4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-3-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(4R)-4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-3-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID163294617
Molecular FormulaC24H27FN4O4
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC Name5-[(4R)-4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-3-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(N4CC[C@H](CN5CC6CC6C5)C(F)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C24H27FN4O4/c25-19-12-28(6-5-13(19)9-27-10-14-7-15(14)11-27)16-1-2-17-18(8-16)24(33)29(23(17)32)20-3-4-21(30)26-22(20)31/h1-2,8,13-15,19-20H,3-7,9-12H2,(H,26,30,31)/t13-,14?,15?,19?,20?/m1/s1
InChIKeyOPWJCGFQOCGOHW-ZWQILZKASA-N
XLogP1.20
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(4R)-4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-3-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Related Compounds

5-[6-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 176695021
5-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163294211
2-(2,6-dioxopiperidin-3-yl)-5-(3-iodopyrrolidin-1-yl)isoindole-1,3-dione
CID 155177559
(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carboxylic acid
CID 134413856
2-(2,6-dioxopiperidin-3-yl)-5-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]isoindole-1,3-dione
CID 146485030
2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]isoindole-1,3-dione
CID 167091176
5-(azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846090
(3S)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde
CID 146485017
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 134413720
2-(2,6-dioxopiperidin-3-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]azetidin-1-yl]isoindole-1,3-dione
CID 156709683
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidine-3-carbonitrile
CID 175765867
2-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]piperidin-1-yl]pyrimidine-5-carbaldehyde
CID 155219122

Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-3-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[(4R)-4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-3-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 163294617) is 5-[(4R)-4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-3-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[(4R)-4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-3-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[(4R)-4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-3-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(N4CC[C@H](CN5CC6CC6C5)C(F)C4)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-[(4R)-4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-3-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is OPWJCGFQOCGOHW-ZWQILZKASA-N. The full InChI is InChI=1S/C24H27FN4O4/c25-19-12-28(6-5-13(19)9-27-10-14-7-15(14)11-27)16-1-2-17-18(8-16)24(33)29(23(17)32)20-3-4-21(30)26-22(20)31/h1-2,8,13-15,19-20H,3-7,9-12H2,(H,26,30,31)/t13-,14?,15?,19?,20?/m1/s1.
What are the key properties of 5-[(4R)-4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-3-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[(4R)-4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-3-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 454.50 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R)-4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-3-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 163294617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).