3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one

C14H26N2O3 — CID 162628856

IUPAC3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one
SMILESCN1CCOC2(CCN(C(=O)C(C)(C)CO)CC2)C1
InChIInChI=1S/C14H26N2O3/c1-13(2,11-17)12(18)16-6-4-14(5-7-16)10-15(3)8-9-19-14/h17H,4-11H2,1-3H3
InChIKeyWQUSRQMHRWUEOI-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.33
Rot. Bonds2

About 3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one

3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one (PubChem CID 162628856) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one
PubChem CID162628856
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one
SMILESCN1CCOC2(CCN(C(=O)C(C)(C)CO)CC2)C1
InChIInChI=1S/C14H26N2O3/c1-13(2,11-17)12(18)16-6-4-14(5-7-16)10-15(3)8-9-19-14/h17H,4-11H2,1-3H3
InChIKeyWQUSRQMHRWUEOI-UHFFFAOYSA-N
XLogP0.33
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one
CID 162629771
9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 166686001
(4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane
CID 177187480
ethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 171845223
4-methyl-1-oxa-4-azaspiro[5.5]undecane
CID 23544679
(3-amino-1H-1,2,4-triazol-5-yl)-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 162631078
3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one
CID 22120293
tert-butyl 4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 151011850
9-tert-butyl-4-(5,5-dimethylhexyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138656844
4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 138386808
4-methyl-3-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-6-pentan-2-ylpyran-2-one
CID 170512704
2-methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
CID 155455485

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one?
The IUPAC name of 3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one (CID 162628856) is 3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one is CN1CCOC2(CCN(C(=O)C(C)(C)CO)CC2)C1.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one?
The InChIKey is WQUSRQMHRWUEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,11-17)12(18)16-6-4-14(5-7-16)10-15(3)8-9-19-14/h17H,4-11H2,1-3H3.
What are the key properties of 3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one?
3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one has a molecular weight of 270.37 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one is sourced from PubChem (CID 162628856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).