1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one

C18H30N2O3 — CID 131693400

IUPAC1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
SMILESCC(C)CC(=O)N1CC2(CCC(CN3CCCCC3=O)CO2)C1
InChIInChI=1S/C18H30N2O3/c1-14(2)9-17(22)20-12-18(13-20)7-6-15(11-23-18)10-19-8-4-3-5-16(19)21/h14-15H,3-13H2,1-2H3
InChIKeyIWYKBUVYIGRAOI-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.05
Rot. Bonds4

About 1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one

1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one (PubChem CID 131693400) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
PubChem CID131693400
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
SMILESCC(C)CC(=O)N1CC2(CCC(CN3CCCCC3=O)CO2)C1
InChIInChI=1S/C18H30N2O3/c1-14(2)9-17(22)20-12-18(13-20)7-6-15(11-23-18)10-19-8-4-3-5-16(19)21/h14-15H,3-13H2,1-2H3
InChIKeyIWYKBUVYIGRAOI-UHFFFAOYSA-N
XLogP2.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one with MolForge

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Related Compounds

3-methyl-1-[7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one
CID 131693794
1-[[2-(1-fluorocyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 131693247
1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
CID 131693487
1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 131692664
1-[[2-(1,3-dihydro-2-benzofuran-5-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 131693079
1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 131692904
1-[[(7R)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
CID 124806557
1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one
CID 111538893
1-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methyl]piperidin-2-one
CID 119794155
1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one
CID 99775938
1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 146104045
1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone
CID 124816450

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one (CID 131693400) is 1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one is CC(C)CC(=O)N1CC2(CCC(CN3CCCCC3=O)CO2)C1.
What is the InChIKey of 1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one?
The InChIKey is IWYKBUVYIGRAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-14(2)9-17(22)20-12-18(13-20)7-6-15(11-23-18)10-19-8-4-3-5-16(19)21/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one?
1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one has a molecular weight of 322.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one is sourced from PubChem (CID 131693400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).