1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone

C12H22N2O3 — CID 82038244

IUPAC1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCC2(CCNC2)C1
InChIInChI=1S/C12H22N2O3/c1-16-6-7-17-8-11(15)14-5-3-12(10-14)2-4-13-9-12/h13H,2-10H2,1H3
InChIKeyIDEULCCHYXIJOB-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.14
Rot. Bonds5

About 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone

1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone (PubChem CID 82038244) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone.

Molecular Properties

Compound Name1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone
PubChem CID82038244
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCC2(CCNC2)C1
InChIInChI=1S/C12H22N2O3/c1-16-6-7-17-8-11(15)14-5-3-12(10-14)2-4-13-9-12/h13H,2-10H2,1H3
InChIKeyIDEULCCHYXIJOB-UHFFFAOYSA-N
XLogP-0.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.14
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-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone
CID 56755922
3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 114032004
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyphenoxy)ethanone
CID 82038149
2-[2-(2-methoxyethoxy)ethyl]-2,7-diazaspiro[4.4]nonane
CID 82038602
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
ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82038278
1-[8-(4-acetylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(2-methoxyethoxy)ethanone
CID 3600409
1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane
CID 178115937
N-ethyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 130525692
1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
CID 3812253
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-phenylethanone
CID 82038242

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone?
The IUPAC name of 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone (CID 82038244) is 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone.
What is the SMILES notation for 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone?
The canonical SMILES for 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone is COCCOCC(=O)N1CCC2(CCNC2)C1.
What is the InChIKey of 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone?
The InChIKey is IDEULCCHYXIJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-16-6-7-17-8-11(15)14-5-3-12(10-14)2-4-13-9-12/h13H,2-10H2,1H3.
What are the key properties of 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone?
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone has a molecular weight of 242.32 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone is sourced from PubChem (CID 82038244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).