3-[6-[(1S,2R)-2-[(3-fluoro-3-methylcyclobutyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C25H32FN3O4 — CID 160752526

IUPAC3-[6-[(1S,2R)-2-[(3-fluoro-3-methylcyclobutyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1(F)CC(CN[C@@H]2CCCC[C@@H]2Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C25H32FN3O4/c1-25(26)11-15(12-25)13-27-19-4-2-3-5-21(19)33-17-6-7-18-16(10-17)14-29(24(18)32)20-8-9-22(30)28-23(20)31/h6-7,10,15,19-21,27H,2-5,8-9,11-14H2,1H3,(H,28,30,31)/t15?,19-,20?,21+,25?/m1/s1
InChIKeyRWZZUFFPZFWDJI-WBVUNACQSA-N
MW457.55 g/mol
LogP2.87
Rot. Bonds6

About 3-[6-[(1S,2R)-2-[(3-fluoro-3-methylcyclobutyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[(1S,2R)-2-[(3-fluoro-3-methylcyclobutyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 160752526) has the molecular formula C25H32FN3O4 and a molecular weight of 457.55 g/mol. Its IUPAC name is 3-[6-[(1S,2R)-2-[(3-fluoro-3-methylcyclobutyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[(1S,2R)-2-[(3-fluoro-3-methylcyclobutyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID160752526
Molecular FormulaC25H32FN3O4
Molecular Weight457.55 g/mol
Exact Mass457.24
IUPAC Name3-[6-[(1S,2R)-2-[(3-fluoro-3-methylcyclobutyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1(F)CC(CN[C@@H]2CCCC[C@@H]2Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C25H32FN3O4/c1-25(26)11-15(12-25)13-27-19-4-2-3-5-21(19)33-17-6-7-18-16(10-17)14-29(24(18)32)20-8-9-22(30)28-23(20)31/h6-7,10,15,19-21,27H,2-5,8-9,11-14H2,1H3,(H,28,30,31)/t15?,19-,20?,21+,25?/m1/s1
InChIKeyRWZZUFFPZFWDJI-WBVUNACQSA-N
XLogP2.87
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[6-[(1S,2R)-2-[(3-fluoro-3-methylcyclobutyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[[(1S,2R)-2-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]amino]methyl]-1-methylcyclobutane-1-carbonitrile
CID 175874215
3-[6-[(1S,2S)-2-[(4,4-difluorocyclohexyl)methylamino]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300403
3-[6-[(1S,2R)-2-(oxan-4-ylmethylamino)cycloheptyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296771
3-[6-[(1S,2S)-2-[(4-methoxycyclohexyl)methylamino]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300168
3-[6-[(1S,2R)-2-(2-methylpropylamino)cycloheptyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300261
3-[6-[(1S,2R)-2-[(3-methyloxetan-3-yl)methylamino]cycloheptyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300461
3-[6-[(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cycloheptyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300460
3-[3-oxo-6-[(1S,2S)-2-[[1-(trifluoromethyl)cyclopropyl]methylamino]cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300305
3-[3-oxo-6-[(1S,2S)-2-(pyridin-4-ylmethylamino)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300323
3-[3-oxo-6-[(1R,2S)-2-(pyridin-4-ylmethylamino)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 151773448
3-[6-[(1S)-2-methylcyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170104196
3-[6-[(1R,2S)-2-[(6-methyl-2-pyridinyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 151329402

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(1S,2R)-2-[(3-fluoro-3-methylcyclobutyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[(1S,2R)-2-[(3-fluoro-3-methylcyclobutyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 160752526) is 3-[6-[(1S,2R)-2-[(3-fluoro-3-methylcyclobutyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[(1S,2R)-2-[(3-fluoro-3-methylcyclobutyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[(1S,2R)-2-[(3-fluoro-3-methylcyclobutyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC1(F)CC(CN[C@@H]2CCCC[C@@H]2Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1.
What is the InChIKey of 3-[6-[(1S,2R)-2-[(3-fluoro-3-methylcyclobutyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is RWZZUFFPZFWDJI-WBVUNACQSA-N. The full InChI is InChI=1S/C25H32FN3O4/c1-25(26)11-15(12-25)13-27-19-4-2-3-5-21(19)33-17-6-7-18-16(10-17)14-29(24(18)32)20-8-9-22(30)28-23(20)31/h6-7,10,15,19-21,27H,2-5,8-9,11-14H2,1H3,(H,28,30,31)/t15?,19-,20?,21+,25?/m1/s1.
What are the key properties of 3-[6-[(1S,2R)-2-[(3-fluoro-3-methylcyclobutyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[(1S,2R)-2-[(3-fluoro-3-methylcyclobutyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 457.55 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(1S,2R)-2-[(3-fluoro-3-methylcyclobutyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 160752526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).