7-[(2-methoxyphenyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione

C14H14N2O4 — CID 115946385

IUPAC7-[(2-methoxyphenyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCOc1ccccc1CN1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C14H14N2O4/c1-20-10-5-3-2-4-9(10)8-16-12(18)14(6-7-14)11(17)15-13(16)19/h2-5H,6-8H2,1H3,(H,15,17,19)
InChIKeyXWGBTOSSLMMIHG-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.05
Rot. Bonds3

About 7-[(2-methoxyphenyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-[(2-methoxyphenyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 115946385) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 7-[(2-methoxyphenyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-[(2-methoxyphenyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID115946385
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name7-[(2-methoxyphenyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCOc1ccccc1CN1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C14H14N2O4/c1-20-10-5-3-2-4-9(10)8-16-12(18)14(6-7-14)11(17)15-13(16)19/h2-5H,6-8H2,1H3,(H,15,17,19)
InChIKeyXWGBTOSSLMMIHG-UHFFFAOYSA-N
XLogP1.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3'-[(2-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166179070
(4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 40777756
7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115948048
(5S)-5-(2-bromophenyl)-3-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 40880953
9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 114958048
(1R,2S,6S,7S)-4-[(2-methoxyphenyl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6544546
2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 125296367
3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66069576
N-[(2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 115635134
6-amino-1-[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
CID 78236637
3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 75517307
1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione
CID 4730255

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methoxyphenyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-[(2-methoxyphenyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 115946385) is 7-[(2-methoxyphenyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-[(2-methoxyphenyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-[(2-methoxyphenyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione is COc1ccccc1CN1C(=O)NC(=O)C2(CC2)C1=O.
What is the InChIKey of 7-[(2-methoxyphenyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is XWGBTOSSLMMIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-20-10-5-3-2-4-9(10)8-16-12(18)14(6-7-14)11(17)15-13(16)19/h2-5H,6-8H2,1H3,(H,15,17,19).
What are the key properties of 7-[(2-methoxyphenyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-[(2-methoxyphenyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 274.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methoxyphenyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 115946385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).