9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C13H22N2O3 — CID 64959195

IUPAC9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCOCCCN1CC(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C13H22N2O3/c1-2-18-9-5-8-15-10-11(16)14-13(12(15)17)6-3-4-7-13/h2-10H2,1H3,(H,14,16)
InChIKeyDNUQNSPKGAAZJB-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.68
Rot. Bonds5

About 9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione

9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64959195) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64959195
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCOCCCN1CC(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C13H22N2O3/c1-2-18-9-5-8-15-10-11(16)14-13(12(15)17)6-3-4-7-13/h2-10H2,1H3,(H,14,16)
InChIKeyDNUQNSPKGAAZJB-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.68
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-(2-butoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64878863
4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64967479
1-(3-ethoxypropyl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64958561
4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64970002
4-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64879190
9-(7-methyloctyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107818476
9-(3-ethoxypropyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64958654
9-(2-but-3-enoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106409784
9-(cyclobutylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64960256
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

Frequently Asked Questions

What is the IUPAC name of 9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64959195) is 9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione is CCOCCCN1CC(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is DNUQNSPKGAAZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-18-9-5-8-15-10-11(16)14-13(12(15)17)6-3-4-7-13/h2-10H2,1H3,(H,14,16).
What are the key properties of 9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 254.33 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64959195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).