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

C24H27FN4O4 — CID 163294211

IUPAC5-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(N4CCC(F)(CN5CC6CC6C5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C24H27FN4O4/c25-24(13-27-11-14-9-15(14)12-27)5-7-28(8-6-24)16-1-2-17-18(10-16)23(33)29(22(17)32)19-3-4-20(30)26-21(19)31/h1-2,10,14-15,19H,3-9,11-13H2,(H,26,30,31)
InChIKeyWMLPPSNFYBYDDT-UHFFFAOYSA-N
MW454.50 g/mol
LogP1.35
Rot. Bonds4

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

5-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 163294211) has the molecular formula C24H27FN4O4 and a molecular weight of 454.50 g/mol. Its IUPAC name is 5-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID163294211
Molecular FormulaC24H27FN4O4
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC Name5-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(N4CCC(F)(CN5CC6CC6C5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C24H27FN4O4/c25-24(13-27-11-14-9-15(14)12-27)5-7-28(8-6-24)16-1-2-17-18(10-16)23(33)29(22(17)32)19-3-4-20(30)26-21(19)31/h1-2,10,14-15,19H,3-9,11-13H2,(H,26,30,31)
InChIKeyWMLPPSNFYBYDDT-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

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
5-(azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846090
tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 165137061
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
2-(2,6-dioxopiperidin-3-yl)-5-(4-methylpiperazin-1-yl)isoindole-1,3-dione;ethane
CID 171786631
(1S,5R)-3-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-hydroxypiperidin-4-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde
CID 163294156
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 134413720
2-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid
CID 155677813
2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-hydroxyethyl)piperazin-1-yl]isoindole-1,3-dione
CID 134414030
5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 171705610
2-(2,6-dioxopiperidin-3-yl)-5-(3-iodopyrrolidin-1-yl)isoindole-1,3-dione
CID 155177559
3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propanal
CID 168740492

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 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) is 5-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(N4CCC(F)(CN5CC6CC6C5)CC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is WMLPPSNFYBYDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4/c25-24(13-27-11-14-9-15(14)12-27)5-7-28(8-6-24)16-1-2-17-18(10-16)23(33)29(22(17)32)19-3-4-20(30)26-21(19)31/h1-2,10,14-15,19H,3-9,11-13H2,(H,26,30,31).
What are the key properties of 5-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 454.50 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-fluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 163294211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).