5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione

C18H22N4O4 — CID 91071298

IUPAC5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESCOc1ccc2c(O)n(CC3(C4CCNCC4)NC(=O)NC3=O)cc2c1
InChIInChI=1S/C18H22N4O4/c1-26-13-2-3-14-11(8-13)9-22(15(14)23)10-18(12-4-6-19-7-5-12)16(24)20-17(25)21-18/h2-3,8-9,12,19,23H,4-7,10H2,1H3,(H2,20,21,24,25)
InChIKeyWHCXDHQAEBILSE-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.93
Rot. Bonds4

About 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione

5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione (PubChem CID 91071298) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
PubChem CID91071298
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESCOc1ccc2c(O)n(CC3(C4CCNCC4)NC(=O)NC3=O)cc2c1
InChIInChI=1S/C18H22N4O4/c1-26-13-2-3-14-11(8-13)9-22(15(14)23)10-18(12-4-6-19-7-5-12)16(24)20-17(25)21-18/h2-3,8-9,12,19,23H,4-7,10H2,1H3,(H2,20,21,24,25)
InChIKeyWHCXDHQAEBILSE-UHFFFAOYSA-N
XLogP0.93
TPSA104.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(1-acetylpiperidin-4-yl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91088572
5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)imidazolidine-2,4-dione
CID 91266867
5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 91518354
3,3-bis[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]pyrrolidine-2,5-dione
CID 91150550
5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 91258994
(5R)-5-[2-(1-hydroxy-2H-isoindol-5-yl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91049606
(5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
CID 91337439
5-[2-(4-fluorophenyl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90733972
(5R)-5-[2-(3,5-dichlorophenyl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91520006
(5R)-5-(4-fluorophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91099618
(5R)-5-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91208821
5-[(5-bromo-1-hydroxyisoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 91533514

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione (CID 91071298) is 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione is COc1ccc2c(O)n(CC3(C4CCNCC4)NC(=O)NC3=O)cc2c1.
What is the InChIKey of 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The InChIKey is WHCXDHQAEBILSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-26-13-2-3-14-11(8-13)9-22(15(14)23)10-18(12-4-6-19-7-5-12)16(24)20-17(25)21-18/h2-3,8-9,12,19,23H,4-7,10H2,1H3,(H2,20,21,24,25).
What are the key properties of 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione has a molecular weight of 358.40 g/mol, XLogP of 0.93, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 91071298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).