1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone

C13H24N2O2 — CID 102849595

IUPAC1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone
SMILESCCOCC(=O)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-17-9-12(16)15-8-4-6-13(11-15)5-3-7-14-10-13/h14H,2-11H2,1H3
InChIKeyNOKMYCJVMFCGCR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.02
Rot. Bonds3

About 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone

1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone (PubChem CID 102849595) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone
PubChem CID102849595
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone
SMILESCCOCC(=O)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-17-9-12(16)15-8-4-6-13(11-15)5-3-7-14-10-13/h14H,2-11H2,1H3
InChIKeyNOKMYCJVMFCGCR-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone
CID 56755922
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-methoxypropan-1-one
CID 82038245
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
CID 82038247
2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874750
2-cyclohexyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)ethanone
CID 102849929
1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane
CID 178115937
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone
CID 82038244
(Z)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpent-2-en-1-one
CID 102849643
3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one
CID 102849644
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone
CID 82038156
2,8-diazaspiro[5.5]undecan-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 102849814

Frequently Asked Questions

What is the IUPAC name of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone?
The IUPAC name of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone (CID 102849595) is 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone.
What is the SMILES notation for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone?
The canonical SMILES for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone is CCOCC(=O)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone?
The InChIKey is NOKMYCJVMFCGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-17-9-12(16)15-8-4-6-13(11-15)5-3-7-14-10-13/h14H,2-11H2,1H3.
What are the key properties of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone?
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone has a molecular weight of 240.35 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone is sourced from PubChem (CID 102849595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).