8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C14H17N3O3 — CID 21350625

IUPAC8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(N2CCC3(CC2)NC(=O)NC3=O)c1
InChIInChI=1S/C14H17N3O3/c1-20-11-4-2-3-10(9-11)17-7-5-14(6-8-17)12(18)15-13(19)16-14/h2-4,9H,5-8H2,1H3,(H2,15,16,18,19)
InChIKeyQBVUZQYHIVDQMR-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.87
Rot. Bonds2

About 8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 21350625) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID21350625
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(N2CCC3(CC2)NC(=O)NC3=O)c1
InChIInChI=1S/C14H17N3O3/c1-20-11-4-2-3-10(9-11)17-7-5-14(6-8-17)12(18)15-13(19)16-14/h2-4,9H,5-8H2,1H3,(H2,15,16,18,19)
InChIKeyQBVUZQYHIVDQMR-UHFFFAOYSA-N
XLogP0.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-[1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 31838228
4,4-difluoro-1-(3-methoxyphenyl)piperidine
CID 117007784
3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
CID 82484817
4-(3-methoxyphenyl)piperazine-2,6-dione
CID 63788375
1-(3-methoxyphenyl)azepane
CID 57276431
4-amino-1-(4-phenoxyphenyl)piperidine-4-carboxylic acid;8-(4-phenoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 159468173
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
4-(3-methoxyphenyl)piperazine-1-carbaldehyde
CID 22945750
8-[(3-hydroxy-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 143587326
1-(4-chlorophenyl)piperidin-4-one;8-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 161159122
(5R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.6]dodec-1-ene-5-carbonitrile
CID 41457165

Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 21350625) is 8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1cccc(N2CCC3(CC2)NC(=O)NC3=O)c1.
What is the InChIKey of 8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is QBVUZQYHIVDQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-20-11-4-2-3-10(9-11)17-7-5-14(6-8-17)12(18)15-13(19)16-14/h2-4,9H,5-8H2,1H3,(H2,15,16,18,19).
What are the key properties of 8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 275.31 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 21350625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).