1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone

C13H24N2O3 — CID 56755922

IUPAC1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCC2(CCCNC2)C1
InChIInChI=1S/C13H24N2O3/c1-17-7-8-18-9-12(16)15-6-4-13(11-15)3-2-5-14-10-13/h14H,2-11H2,1H3
InChIKeyWYTMQHVILGNXAQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.25
Rot. Bonds5

About 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone

1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone (PubChem CID 56755922) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone.

Molecular Properties

Compound Name1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone
PubChem CID56755922
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCC2(CCCNC2)C1
InChIInChI=1S/C13H24N2O3/c1-17-7-8-18-9-12(16)15-6-4-13(11-15)3-2-5-14-10-13/h14H,2-11H2,1H3
InChIKeyWYTMQHVILGNXAQ-UHFFFAOYSA-N
XLogP0.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone
CID 82038244
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone
CID 102849595
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one
CID 82038245
3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 114032004
(5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 99185249
1-(2,8-diazaspiro[5.5]undecan-2-yl)butane-1,3-dione
CID 110460606
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
CID 82038247
1-[8-(4-acetylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(2-methoxyethoxy)ethanone
CID 3600409
methyl 2,8-diazaspiro[3.5]nonane-2-carboxylate
CID 83906845
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyphenoxy)ethanone
CID 82038149
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601645

Frequently Asked Questions

What is the IUPAC name of 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone?
The IUPAC name of 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone (CID 56755922) is 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone.
What is the SMILES notation for 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone?
The canonical SMILES for 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone is COCCOCC(=O)N1CCC2(CCCNC2)C1.
What is the InChIKey of 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone?
The InChIKey is WYTMQHVILGNXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-17-7-8-18-9-12(16)15-6-4-13(11-15)3-2-5-14-10-13/h14H,2-11H2,1H3.
What are the key properties of 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone?
1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone has a molecular weight of 256.35 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone is sourced from PubChem (CID 56755922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).