3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

C18H21N3O4 — CID 170564498

IUPAC3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCN(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3O)CC1
InChIInChI=1S/C18H21N3O4/c22-13-5-7-20(8-6-13)12-1-2-14-11(9-12)10-21(18(14)25)15-3-4-16(23)19-17(15)24/h1-2,9,15,18,25H,3-8,10H2,(H,19,23,24)
InChIKeyTVUYLDUVSCKUPM-UHFFFAOYSA-N
MW343.38 g/mol
LogP0.47
Rot. Bonds2

About 3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (PubChem CID 170564498) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
PubChem CID170564498
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCN(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3O)CC1
InChIInChI=1S/C18H21N3O4/c22-13-5-7-20(8-6-13)12-1-2-14-11(9-12)10-21(18(14)25)15-3-4-16(23)19-17(15)24/h1-2,9,15,18,25H,3-8,10H2,(H,19,23,24)
InChIKeyTVUYLDUVSCKUPM-UHFFFAOYSA-N
XLogP0.47
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 152965133
3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 174315913
3-[1-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 167239354
1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea
CID 143987096
3-(3-oxo-6-pyrrolidin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166947626
3-[6-(4-hydroxypiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162742094
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-(1-hydroxy-1,3-dihydroisoindol-2-yl)-6-sulfanylidenepiperidin-2-one
CID 166813632
3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170143097
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]piperidine-4-carbaldehyde
CID 176695485
3-[5-[5-[4-[(dimethylamino)methyl]phenyl]-1-methylpyrazol-4-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 174283412
2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid
CID 170693844

Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (CID 170564498) is 3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is O=C1CCN(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3O)CC1.
What is the InChIKey of 3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The InChIKey is TVUYLDUVSCKUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-13-5-7-20(8-6-13)12-1-2-14-11(9-12)10-21(18(14)25)15-3-4-16(23)19-17(15)24/h1-2,9,15,18,25H,3-8,10H2,(H,19,23,24).
What are the key properties of 3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 343.38 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 170564498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).