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

C18H20ClN3O5 — CID 170694198

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride
SMILESCl.O=C1CCC(N2C(=O)c3ccc(C4(O)CCNCC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C18H19N3O5.ClH/c22-14-4-3-13(15(23)20-14)21-16(24)11-2-1-10(9-12(11)17(21)25)18(26)5-7-19-8-6-18;/h1-2,9,13,19,26H,3-8H2,(H,20,22,23);1H
InChIKeyFJPOIHBMBBGQMP-UHFFFAOYSA-N
MW393.83 g/mol
LogP0.08
Rot. Bonds2

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

2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride (PubChem CID 170694198) has the molecular formula C18H20ClN3O5 and a molecular weight of 393.83 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride
PubChem CID170694198
Molecular FormulaC18H20ClN3O5
Molecular Weight393.83 g/mol
Exact Mass393.11
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride
SMILESCl.O=C1CCC(N2C(=O)c3ccc(C4(O)CCNCC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C18H19N3O5.ClH/c22-14-4-3-13(15(23)20-14)21-16(24)11-2-1-10(9-12(11)17(21)25)18(26)5-7-19-8-6-18;/h1-2,9,13,19,26H,3-8H2,(H,20,22,23);1H
InChIKeyFJPOIHBMBBGQMP-UHFFFAOYSA-N
XLogP0.08
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 50.08
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-hydroxy-2-methylpiperidin-4-yl)isoindole-1,3-dione;hydrochloride
CID 170694202
5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 171705610
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)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione
CID 166105885
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-piperazin-1-ylisoindole-1,3-dione
CID 134413720
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)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione
CID 166105733
2-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-ylisoindole-1,3-dione;ethane
CID 142367515
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride (CID 170694198) is 2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride is Cl.O=C1CCC(N2C(=O)c3ccc(C4(O)CCNCC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride?
The InChIKey is FJPOIHBMBBGQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5.ClH/c22-14-4-3-13(15(23)20-14)21-16(24)11-2-1-10(9-12(11)17(21)25)18(26)5-7-19-8-6-18;/h1-2,9,13,19,26H,3-8H2,(H,20,22,23);1H.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride?
2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride has a molecular weight of 393.83 g/mol, XLogP of 0.08, 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-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 170694198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).