3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

C19H25N3O5 — CID 174315913

IUPAC3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESCOC(OC)C1CN(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3O)C1
InChIInChI=1S/C19H25N3O5/c1-26-19(27-2)12-8-21(9-12)13-3-4-14-11(7-13)10-22(18(14)25)15-5-6-16(23)20-17(15)24/h3-4,7,12,15,18-19,25H,5-6,8-10H2,1-2H3,(H,20,23,24)
InChIKeyIPKMMQOERFUKQA-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.35
Rot. Bonds5

About 3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (PubChem CID 174315913) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
PubChem CID174315913
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESCOC(OC)C1CN(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3O)C1
InChIInChI=1S/C19H25N3O5/c1-26-19(27-2)12-8-21(9-12)13-3-4-14-11(7-13)10-22(18(14)25)15-5-6-16(23)20-17(15)24/h3-4,7,12,15,18-19,25H,5-6,8-10H2,1-2H3,(H,20,23,24)
InChIKeyIPKMMQOERFUKQA-UHFFFAOYSA-N
XLogP0.35
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170564498
3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 152965133
3-[1-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 167239354
3-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-oxo-1-pyridinyl]piperidine-2,6-dione
CID 170954059
3-[1-hydroxy-5-[2-[3-(piperidine-1-carbonyl)azetidin-1-yl]cyclohexyl]oxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 167303265
3-[5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170158044
methyl 1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]azetidine-3-carboxylate
CID 175956723
1-[4-[3-(dimethoxymethyl)azetidin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 176705955
1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea
CID 143987096
3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170214615
3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-4-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165137919
3-[5-[5-[4-[(dimethylamino)methyl]phenyl]-1-methylpyrazol-4-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 174283412

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (CID 174315913) is 3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is COC(OC)C1CN(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3O)C1.
What is the InChIKey of 3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The InChIKey is IPKMMQOERFUKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-26-19(27-2)12-8-21(9-12)13-3-4-14-11(7-13)10-22(18(14)25)15-5-6-16(23)20-17(15)24/h3-4,7,12,15,18-19,25H,5-6,8-10H2,1-2H3,(H,20,23,24).
What are the key properties of 3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 375.43 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 174315913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).