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

C16H19FN2O3 — CID 4875234

IUPAC3-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(CN2C(=O)NC3(CCCCC3)C2=O)cc1F
InChIInChI=1S/C16H19FN2O3/c1-22-13-6-5-11(9-12(13)17)10-19-14(20)16(18-15(19)21)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,21)
InChIKeyIHXRQQUTKSABEI-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.59
Rot. Bonds3

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

3-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 4875234) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID4875234
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name3-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(CN2C(=O)NC3(CCCCC3)C2=O)cc1F
InChIInChI=1S/C16H19FN2O3/c1-22-13-6-5-11(9-12(13)17)10-19-14(20)16(18-15(19)21)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,21)
InChIKeyIHXRQQUTKSABEI-UHFFFAOYSA-N
XLogP2.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 4875234) is 3-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is COc1ccc(CN2C(=O)NC3(CCCCC3)C2=O)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is IHXRQQUTKSABEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-22-13-6-5-11(9-12(13)17)10-19-14(20)16(18-15(19)21)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,21).
What are the key properties of 3-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 306.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 4875234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).