2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one

C17H29NO2 — CID 79921640

IUPAC2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)C1CCOC2(CCC2)C1)N1CCCCC1
InChIInChI=1S/C17H29NO2/c1-16(2,18-10-4-3-5-11-18)15(19)14-7-12-20-17(13-14)8-6-9-17/h14H,3-13H2,1-2H3
InChIKeyIKVXDRNTUCGMMF-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.17
Rot. Bonds3

About 2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one

2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one (PubChem CID 79921640) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one
PubChem CID79921640
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)C1CCOC2(CCC2)C1)N1CCCCC1
InChIInChI=1S/C17H29NO2/c1-16(2,18-10-4-3-5-11-18)15(19)14-7-12-20-17(13-14)8-6-9-17/h14H,3-13H2,1-2H3
InChIKeyIKVXDRNTUCGMMF-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116560117
3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116599992
2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)propan-1-one
CID 79052397
2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 103446684
2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116746985
2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
CID 79909150
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
2-methoxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 116746779
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)prop-2-en-1-one
CID 103446328
2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921956
2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
CID 79913238
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79921120

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one (CID 79921640) is 2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one is CC(C)(C(=O)C1CCOC2(CCC2)C1)N1CCCCC1.
What is the InChIKey of 2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one?
The InChIKey is IKVXDRNTUCGMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-16(2,18-10-4-3-5-11-18)15(19)14-7-12-20-17(13-14)8-6-9-17/h14H,3-13H2,1-2H3.
What are the key properties of 2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one?
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one has a molecular weight of 279.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 79921640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).