5-(1-acetylpiperidin-4-yl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione

C20H24N4O5 — CID 91088572

IUPAC5-(1-acetylpiperidin-4-yl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(O)n(CC3(C4CCN(C(C)=O)CC4)NC(=O)NC3=O)cc2c1
InChIInChI=1S/C20H24N4O5/c1-12(25)23-7-5-14(6-8-23)20(18(27)21-19(28)22-20)11-24-10-13-9-15(29-2)3-4-16(13)17(24)26/h3-4,9-10,14,26H,5-8,11H2,1-2H3,(H2,21,22,27,28)
InChIKeyFIQHRFKPRQNRKQ-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.19
Rot. Bonds4

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

5-(1-acetylpiperidin-4-yl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 91088572) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is 5-(1-acetylpiperidin-4-yl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1-acetylpiperidin-4-yl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID91088572
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Name5-(1-acetylpiperidin-4-yl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(O)n(CC3(C4CCN(C(C)=O)CC4)NC(=O)NC3=O)cc2c1
InChIInChI=1S/C20H24N4O5/c1-12(25)23-7-5-14(6-8-23)20(18(27)21-19(28)22-20)11-24-10-13-9-15(29-2)3-4-16(13)17(24)26/h3-4,9-10,14,26H,5-8,11H2,1-2H3,(H2,21,22,27,28)
InChIKeyFIQHRFKPRQNRKQ-UHFFFAOYSA-N
XLogP1.19
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 91071298
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-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
CID 91337439
4-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzoic acid
CID 90980933
(5R)-5-(4-fluorophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91099618
ethyl 2-[4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetate
CID 91043741
5-[(5-bromo-1-hydroxyisoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 91533514
N-cyclopropyl-5-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-2-carboxamide
CID 90971085
(5R)-5-[2-(1-hydroxy-2H-isoindol-5-yl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91049606

Frequently Asked Questions

What is the IUPAC name of 5-(1-acetylpiperidin-4-yl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(1-acetylpiperidin-4-yl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 91088572) is 5-(1-acetylpiperidin-4-yl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(1-acetylpiperidin-4-yl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(1-acetylpiperidin-4-yl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(O)n(CC3(C4CCN(C(C)=O)CC4)NC(=O)NC3=O)cc2c1.
What is the InChIKey of 5-(1-acetylpiperidin-4-yl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is FIQHRFKPRQNRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-12(25)23-7-5-14(6-8-23)20(18(27)21-19(28)22-20)11-24-10-13-9-15(29-2)3-4-16(13)17(24)26/h3-4,9-10,14,26H,5-8,11H2,1-2H3,(H2,21,22,27,28).
What are the key properties of 5-(1-acetylpiperidin-4-yl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
5-(1-acetylpiperidin-4-yl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 400.44 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetylpiperidin-4-yl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91088572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).