1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

C12H20N2O3 — CID 113437173

IUPAC1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCOCCCCN1C(=O)NC(=O)C12CCCC2
InChIInChI=1S/C12H20N2O3/c1-17-9-5-4-8-14-11(16)13-10(15)12(14)6-2-3-7-12/h2-9H2,1H3,(H,13,15,16)
InChIKeyHBZPZVBJQJHFQV-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.28
Rot. Bonds5

About 1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 113437173) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID113437173
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCOCCCCN1C(=O)NC(=O)C12CCCC2
InChIInChI=1S/C12H20N2O3/c1-17-9-5-4-8-14-11(16)13-10(15)12(14)6-2-3-7-12/h2-9H2,1H3,(H,13,15,16)
InChIKeyHBZPZVBJQJHFQV-UHFFFAOYSA-N
XLogP1.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 104567461
1-(4-methoxybutyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 104649853
1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 83168970
9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599761
1-(2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 107914237
1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 113474380
1-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130008709
3-ethyl-1-(2-methoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64885883
1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 65165016
4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64967479
6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 104650386
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 113437173) is 1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is COCCCCN1C(=O)NC(=O)C12CCCC2.
What is the InChIKey of 1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is HBZPZVBJQJHFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-17-9-5-4-8-14-11(16)13-10(15)12(14)6-2-3-7-12/h2-9H2,1H3,(H,13,15,16).
What are the key properties of 1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 240.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 113437173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).