2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxy-2-methylpiperidin-4-yl)isoindole-1,3-dione;hydrochloride

C19H22ClN3O5 — CID 170694202

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxy-2-methylpiperidin-4-yl)isoindole-1,3-dione;hydrochloride
SMILESCC1CC(O)(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1.Cl
InChIInChI=1S/C19H21N3O5.ClH/c1-10-9-19(27,6-7-20-10)11-2-3-12-13(8-11)18(26)22(17(12)25)14-4-5-15(23)21-16(14)24;/h2-3,8,10,14,20,27H,4-7,9H2,1H3,(H,21,23,24);1H
InChIKeyDVSCIEYEQYGITM-UHFFFAOYSA-N
MW407.85 g/mol
LogP0.47
Rot. Bonds2

About 2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxy-2-methylpiperidin-4-yl)isoindole-1,3-dione;hydrochloride

2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxy-2-methylpiperidin-4-yl)isoindole-1,3-dione;hydrochloride (PubChem CID 170694202) has the molecular formula C19H22ClN3O5 and a molecular weight of 407.85 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxy-2-methylpiperidin-4-yl)isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxy-2-methylpiperidin-4-yl)isoindole-1,3-dione;hydrochloride
PubChem CID170694202
Molecular FormulaC19H22ClN3O5
Molecular Weight407.85 g/mol
Exact Mass407.12
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxy-2-methylpiperidin-4-yl)isoindole-1,3-dione;hydrochloride
SMILESCC1CC(O)(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1.Cl
InChIInChI=1S/C19H21N3O5.ClH/c1-10-9-19(27,6-7-20-10)11-2-3-12-13(8-11)18(26)22(17(12)25)14-4-5-15(23)21-16(14)24;/h2-3,8,10,14,20,27H,4-7,9H2,1H3,(H,21,23,24);1H
InChIKeyDVSCIEYEQYGITM-UHFFFAOYSA-N
XLogP0.47
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride
CID 170694198
5-(1-benzyl-4-hydroxy-2-methylpiperidin-4-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 170694205
2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione
CID 166105885
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
2-(2,6-dioxopiperidin-3-yl)-5-[1-[(3-fluoro-4-methylphenyl)methyl]-4-hydroxypiperidin-4-yl]isoindole-1,3-dione
CID 166105729
2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]isoindole-1,3-dione
CID 166105732
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166105835
[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]boronic acid
CID 177125946

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxy-2-methylpiperidin-4-yl)isoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxy-2-methylpiperidin-4-yl)isoindole-1,3-dione;hydrochloride (CID 170694202) is 2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxy-2-methylpiperidin-4-yl)isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxy-2-methylpiperidin-4-yl)isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxy-2-methylpiperidin-4-yl)isoindole-1,3-dione;hydrochloride is CC1CC(O)(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1.Cl.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxy-2-methylpiperidin-4-yl)isoindole-1,3-dione;hydrochloride?
The InChIKey is DVSCIEYEQYGITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5.ClH/c1-10-9-19(27,6-7-20-10)11-2-3-12-13(8-11)18(26)22(17(12)25)14-4-5-15(23)21-16(14)24;/h2-3,8,10,14,20,27H,4-7,9H2,1H3,(H,21,23,24);1H.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxy-2-methylpiperidin-4-yl)isoindole-1,3-dione;hydrochloride?
2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxy-2-methylpiperidin-4-yl)isoindole-1,3-dione;hydrochloride has a molecular weight of 407.85 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxy-2-methylpiperidin-4-yl)isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 170694202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).