3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C16H20N2O3 — CID 130201562

IUPAC3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(CN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-21-13-7-5-12(6-8-13)11-18-14(19)16(17-15(18)20)9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,17,20)
InChIKeyINUMPOHGLACVCI-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.45
Rot. Bonds3

About 3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 130201562) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID130201562
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(CN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-21-13-7-5-12(6-8-13)11-18-14(19)16(17-15(18)20)9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,17,20)
InChIKeyINUMPOHGLACVCI-UHFFFAOYSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 68626194
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 81146115
3-[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 110005115
3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 100677498
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711629
3-[(4-methoxyphenyl)methyl]-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 91218791
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856
3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 31572513
3-benzyl-8-(4-methoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16812524
7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 110005331

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 130201562) is 3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is COc1ccc(CN2C(=O)NC3(CCCCC3)C2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is INUMPOHGLACVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-21-13-7-5-12(6-8-13)11-18-14(19)16(17-15(18)20)9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,17,20).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 130201562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).