1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone

C17H24N2O2 — CID 82038156

IUPAC1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone
SMILESO=C(Cc1ccc(O)cc1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C17H24N2O2/c20-15-5-3-14(4-6-15)11-16(21)19-10-2-8-17(13-19)7-1-9-18-12-17/h3-6,18,20H,1-2,7-13H2
InChIKeyLWWUPJDXYQXQIG-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.93
Rot. Bonds2

About 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone

1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone (PubChem CID 82038156) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone
PubChem CID82038156
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone
SMILESO=C(Cc1ccc(O)cc1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C17H24N2O2/c20-15-5-3-14(4-6-15)11-16(21)19-10-2-8-17(13-19)7-1-9-18-12-17/h3-6,18,20H,1-2,7-13H2
InChIKeyLWWUPJDXYQXQIG-UHFFFAOYSA-N
XLogP1.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone
CID 82038211
1-(2,7-diazaspiro[4.4]nonan-2-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 82038184
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-phenylethanone
CID 82038242
1-(2,8-diazaspiro[5.5]undecan-2-yl)butane-1,3-dione
CID 110460606
4-[3-(2,8-diazaspiro[5.5]undecan-2-yl)propyl]phenol
CID 82038711
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
CID 82038247
2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone
CID 102849550
2-cyclohexyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)ethanone
CID 102849929
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one
CID 82038245
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone
CID 102849595
2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
CID 102849694
2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone
CID 119805305

Frequently Asked Questions

What is the IUPAC name of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone?
The IUPAC name of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone (CID 82038156) is 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone is O=C(Cc1ccc(O)cc1)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone?
The InChIKey is LWWUPJDXYQXQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-15-5-3-14(4-6-15)11-16(21)19-10-2-8-17(13-19)7-1-9-18-12-17/h3-6,18,20H,1-2,7-13H2.
What are the key properties of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone?
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone has a molecular weight of 288.39 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 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-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 82038156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).