1-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C19H23N3O4 — CID 175987440

IUPAC1-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESC[C@H]1CNC[C@H](Oc2ccc3c(c2)CN(N2C(=O)CCCC2=O)C3=O)C1
InChIInChI=1S/C19H23N3O4/c1-12-7-15(10-20-9-12)26-14-5-6-16-13(8-14)11-21(19(16)25)22-17(23)3-2-4-18(22)24/h5-6,8,12,15,20H,2-4,7,9-11H2,1H3/t12-,15-/m1/s1
InChIKeyAWPGDQFLGWEEES-IUODEOHRSA-N
MW357.41 g/mol
LogP1.47
Rot. Bonds3

About 1-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

1-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 175987440) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID175987440
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESC[C@H]1CNC[C@H](Oc2ccc3c(c2)CN(N2C(=O)CCCC2=O)C3=O)C1
InChIInChI=1S/C19H23N3O4/c1-12-7-15(10-20-9-12)26-14-5-6-16-13(8-14)11-21(19(16)25)22-17(23)3-2-4-18(22)24/h5-6,8,12,15,20H,2-4,7,9-11H2,1H3/t12-,15-/m1/s1
InChIKeyAWPGDQFLGWEEES-IUODEOHRSA-N
XLogP1.47
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

1-[6-[(3R,5S)-1-ethyl-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175987475
1-(hydroxymethyl)-3-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166154122
1-[6-[2-(azetidin-3-yl)ethynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175832865
3-[6-[(3R,5R)-1,5-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166154234
3-[6-[(3R,5R)-5-ethoxypiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166154242
1-[6-[1-(1-ethylpiperidin-2-yl)ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175769783
1-[6-[1-[(2S)-1-ethylpyrrolidin-2-yl]propoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175769730
1-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 159202967
5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole
CID 176913255
3-[6-(azepan-3-yloxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175487584
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-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391942

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 1-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 175987440) is 1-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 1-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 1-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is C[C@H]1CNC[C@H](Oc2ccc3c(c2)CN(N2C(=O)CCCC2=O)C3=O)C1.
What is the InChIKey of 1-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is AWPGDQFLGWEEES-IUODEOHRSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-7-15(10-20-9-12)26-14-5-6-16-13(8-14)11-21(19(16)25)22-17(23)3-2-4-18(22)24/h5-6,8,12,15,20H,2-4,7,9-11H2,1H3/t12-,15-/m1/s1.
What are the key properties of 1-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
1-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 357.41 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 175987440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).