1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one

C17H24N2O4 — CID 164689718

IUPAC1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1(O)CCOC2(CCN(C(=O)Cn3ccccc3=O)CC2)C1
InChIInChI=1S/C17H24N2O4/c1-16(22)7-11-23-17(13-16)5-9-18(10-6-17)15(21)12-19-8-3-2-4-14(19)20/h2-4,8,22H,5-7,9-13H2,1H3
InChIKeyDEYJGZDZAKRGQT-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.77
Rot. Bonds2

About 1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one

1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 164689718) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one
PubChem CID164689718
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1(O)CCOC2(CCN(C(=O)Cn3ccccc3=O)CC2)C1
InChIInChI=1S/C17H24N2O4/c1-16(22)7-11-23-17(13-16)5-9-18(10-6-17)15(21)12-19-8-3-2-4-14(19)20/h2-4,8,22H,5-7,9-13H2,1H3
InChIKeyDEYJGZDZAKRGQT-UHFFFAOYSA-N
XLogP0.77
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one with MolForge

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Related Compounds

N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide
CID 166614505
1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 163313170
1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone
CID 135096486
1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 55496052
1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 163308760
2-(3,4-dimethylphenoxy)-1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 135103708
4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide
CID 135094171
9-benzyl-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol;formic acid
CID 154916082
1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 103726896
ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 75485633
(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 164688171
1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one
CID 120994925

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one (CID 164689718) is 1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one is CC1(O)CCOC2(CCN(C(=O)Cn3ccccc3=O)CC2)C1.
What is the InChIKey of 1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is DEYJGZDZAKRGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-16(22)7-11-23-17(13-16)5-9-18(10-6-17)15(21)12-19-8-3-2-4-14(19)20/h2-4,8,22H,5-7,9-13H2,1H3.
What are the key properties of 1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one?
1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 320.39 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 164689718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).