4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C14H24N2O3 — CID 64967479

IUPAC4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCOCCCCN1CC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-19-10-6-5-9-16-11-12(17)15-14(13(16)18)7-3-2-4-8-14/h2-11H2,1H3,(H,15,17)
InChIKeyRDGDMRXKXNIHNS-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.07
Rot. Bonds5

About 4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64967479) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64967479
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCOCCCCN1CC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-19-10-6-5-9-16-11-12(17)15-14(13(16)18)7-3-2-4-8-14/h2-11H2,1H3,(H,15,17)
InChIKeyRDGDMRXKXNIHNS-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-ethoxypropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64958546
9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64959195
1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 64967331
4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64970002
9-(7-methyloctyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107818476
9-(2-butoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64878863
4-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64879190
4-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 106733699
9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880199
9-(2-but-3-enoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106409784
9-prop-2-ynyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64963783
9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 104650420

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64967479) is 4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is COCCCCN1CC(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is RDGDMRXKXNIHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-19-10-6-5-9-16-11-12(17)15-14(13(16)18)7-3-2-4-8-14/h2-11H2,1H3,(H,15,17).
What are the key properties of 4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64967479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).