3-[6-[(3R)-1-[(2S)-butan-2-yl]-4,4-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C24H33N3O4 — CID 166591907

IUPAC3-[6-[(3R)-1-[(2S)-butan-2-yl]-4,4-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC[C@H](C)N1CCC(C)(C)[C@@H](Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C24H33N3O4/c1-5-15(2)26-11-10-24(3,4)20(14-26)31-17-6-7-18-16(12-17)13-27(23(18)30)19-8-9-21(28)25-22(19)29/h6-7,12,15,19-20H,5,8-11,13-14H2,1-4H3,(H,25,28,29)/t15-,19?,20-/m0/s1
InChIKeyBSMFJFMUWZOAFK-VBSNWNEZSA-N
MW427.55 g/mol
LogP2.73
Rot. Bonds5

About 3-[6-[(3R)-1-[(2S)-butan-2-yl]-4,4-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[(3R)-1-[(2S)-butan-2-yl]-4,4-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166591907) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-[6-[(3R)-1-[(2S)-butan-2-yl]-4,4-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[(3R)-1-[(2S)-butan-2-yl]-4,4-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID166591907
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name3-[6-[(3R)-1-[(2S)-butan-2-yl]-4,4-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC[C@H](C)N1CCC(C)(C)[C@@H](Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C24H33N3O4/c1-5-15(2)26-11-10-24(3,4)20(14-26)31-17-6-7-18-16(12-17)13-27(23(18)30)19-8-9-21(28)25-22(19)29/h6-7,12,15,19-20H,5,8-11,13-14H2,1-4H3,(H,25,28,29)/t15-,19?,20-/m0/s1
InChIKeyBSMFJFMUWZOAFK-VBSNWNEZSA-N
XLogP2.73
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[6-[(3R)-1-[(2S)-butan-2-yl]-4,4-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-[6-[1-(2-methylpropyl)piperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 168961803
3-(6-heptan-3-yloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166875808
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391942
(3S)-3-[6-[(3R,4S)-1-ethyl-4-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166154093
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146300156
3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391960
3-[6-[(3R,5R)-5-ethoxy-1-(2-methylpropyl)piperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166154269
3-[6-[(3R,6S)-6-methyl-1-propan-2-ylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
CID 166154247
3-[6-[(3R,5R)-5-ethoxypiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166154242
3-[6-[(1R,2R)-2-(4,4-difluoropiperidin-1-yl)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175619859
3-[6-[(3S,5R)-1-ethyl-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166591931
3-[6-[(2S,3S)-1-ethyl-2-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166591945

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3R)-1-[(2S)-butan-2-yl]-4,4-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[(3R)-1-[(2S)-butan-2-yl]-4,4-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166591907) is 3-[6-[(3R)-1-[(2S)-butan-2-yl]-4,4-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[(3R)-1-[(2S)-butan-2-yl]-4,4-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[(3R)-1-[(2S)-butan-2-yl]-4,4-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC[C@H](C)N1CCC(C)(C)[C@@H](Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1.
What is the InChIKey of 3-[6-[(3R)-1-[(2S)-butan-2-yl]-4,4-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is BSMFJFMUWZOAFK-VBSNWNEZSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-5-15(2)26-11-10-24(3,4)20(14-26)31-17-6-7-18-16(12-17)13-27(23(18)30)19-8-9-21(28)25-22(19)29/h6-7,12,15,19-20H,5,8-11,13-14H2,1-4H3,(H,25,28,29)/t15-,19?,20-/m0/s1.
What are the key properties of 3-[6-[(3R)-1-[(2S)-butan-2-yl]-4,4-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[(3R)-1-[(2S)-butan-2-yl]-4,4-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 427.55 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3R)-1-[(2S)-butan-2-yl]-4,4-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166591907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).