8-methoxy-1-(1-methoxypiperidin-4-yl)oxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione

C24H35N3O5 — CID 90708160

IUPAC8-methoxy-1-(1-methoxypiperidin-4-yl)oxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESCON1CCC(ON2C(=O)C(c3c(C)cc(C)cc3C)C(=O)C23CCN(OC)CC3)CC1
InChIInChI=1S/C24H35N3O5/c1-16-14-17(2)20(18(3)15-16)21-22(28)24(8-12-26(31-5)13-9-24)27(23(21)29)32-19-6-10-25(30-4)11-7-19/h14-15,19,21H,6-13H2,1-5H3
InChIKeySIKFXBCOCHJXFW-UHFFFAOYSA-N
MW445.56 g/mol
LogP2.46
Rot. Bonds5

About 8-methoxy-1-(1-methoxypiperidin-4-yl)oxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione

8-methoxy-1-(1-methoxypiperidin-4-yl)oxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione (PubChem CID 90708160) has the molecular formula C24H35N3O5 and a molecular weight of 445.56 g/mol. Its IUPAC name is 8-methoxy-1-(1-methoxypiperidin-4-yl)oxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methoxy-1-(1-methoxypiperidin-4-yl)oxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
PubChem CID90708160
Molecular FormulaC24H35N3O5
Molecular Weight445.56 g/mol
Exact Mass445.26
IUPAC Name8-methoxy-1-(1-methoxypiperidin-4-yl)oxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESCON1CCC(ON2C(=O)C(c3c(C)cc(C)cc3C)C(=O)C23CCN(OC)CC3)CC1
InChIInChI=1S/C24H35N3O5/c1-16-14-17(2)20(18(3)15-16)21-22(28)24(8-12-26(31-5)13-9-24)27(23(21)29)32-19-6-10-25(30-4)11-7-19/h14-15,19,21H,6-13H2,1-5H3
InChIKeySIKFXBCOCHJXFW-UHFFFAOYSA-N
XLogP2.46
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-4,6-dimethylphenyl)-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91245159
3-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 90737002
3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91125089
1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 123877276
8-(2,4-dimethylhexoxy)-1-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 123876725
3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91348064
1-ethoxy-8-(2-methylbutoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 123495338
3-(2-chloro-4,5-dimethylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91504729
3-(5-bromo-4-fluoro-2-methylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 90976526
3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 90891487
4-hydroxy-8-methoxy-1-methyl-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decan-2-one
CID 123325809
8-(2-bromo-4,6-dimethylphenyl)-3-methoxy-1,2,4,5-tetrahydropyrazolo[1,2-a][1,2,5]triazepine-7,9-dione
CID 89330047

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-(1-methoxypiperidin-4-yl)oxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methoxy-1-(1-methoxypiperidin-4-yl)oxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione (CID 90708160) is 8-methoxy-1-(1-methoxypiperidin-4-yl)oxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methoxy-1-(1-methoxypiperidin-4-yl)oxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methoxy-1-(1-methoxypiperidin-4-yl)oxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione is CON1CCC(ON2C(=O)C(c3c(C)cc(C)cc3C)C(=O)C23CCN(OC)CC3)CC1.
What is the InChIKey of 8-methoxy-1-(1-methoxypiperidin-4-yl)oxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is SIKFXBCOCHJXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O5/c1-16-14-17(2)20(18(3)15-16)21-22(28)24(8-12-26(31-5)13-9-24)27(23(21)29)32-19-6-10-25(30-4)11-7-19/h14-15,19,21H,6-13H2,1-5H3.
What are the key properties of 8-methoxy-1-(1-methoxypiperidin-4-yl)oxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione?
8-methoxy-1-(1-methoxypiperidin-4-yl)oxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 445.56 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-(1-methoxypiperidin-4-yl)oxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 90708160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).