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

C16H28N2O2 — CID 102849816

IUPAC1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(oxan-2-yl)ethanone
SMILESO=C(CC1CCCCO1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H28N2O2/c19-15(11-14-5-1-2-10-20-14)18-9-4-7-16(13-18)6-3-8-17-12-16/h14,17H,1-13H2
InChIKeyDRZXHHYYFKMFJU-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.94
Rot. Bonds2

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

1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(oxan-2-yl)ethanone (PubChem CID 102849816) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(oxan-2-yl)ethanone
PubChem CID102849816
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(oxan-2-yl)ethanone
SMILESO=C(CC1CCCCO1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H28N2O2/c19-15(11-14-5-1-2-10-20-14)18-9-4-7-16(13-18)6-3-8-17-12-16/h14,17H,1-13H2
InChIKeyDRZXHHYYFKMFJU-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)ethanone
CID 102849929
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)butane-1,3-dione
CID 110460606
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
CID 82038247
cyclobutyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849782
2-cyclopentyl-1-[9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 131654189
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120815605
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
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride
CID 120805402
2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone
CID 107181114
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone
CID 82038156

Frequently Asked Questions

What is the IUPAC name of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(oxan-2-yl)ethanone?
The IUPAC name of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(oxan-2-yl)ethanone (CID 102849816) is 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(oxan-2-yl)ethanone.
What is the SMILES notation for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(oxan-2-yl)ethanone?
The canonical SMILES for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(oxan-2-yl)ethanone is O=C(CC1CCCCO1)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(oxan-2-yl)ethanone?
The InChIKey is DRZXHHYYFKMFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c19-15(11-14-5-1-2-10-20-14)18-9-4-7-16(13-18)6-3-8-17-12-16/h14,17H,1-13H2.
What are the key properties of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(oxan-2-yl)ethanone?
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(oxan-2-yl)ethanone has a molecular weight of 280.41 g/mol, XLogP of 1.94, 2 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-(oxan-2-yl)ethanone is sourced from PubChem (CID 102849816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).