1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one

C16H27NO2 — CID 116563307

IUPAC1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one
SMILESO=C(CCC1CCNCC1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H27NO2/c18-15(3-2-13-4-9-17-10-5-13)14-6-11-19-16(12-14)7-1-8-16/h13-14,17H,1-12H2
InChIKeyNBVOZPRFIRJHPO-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.68
Rot. Bonds4

About 1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one

1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one (PubChem CID 116563307) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one
PubChem CID116563307
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one
SMILESO=C(CCC1CCNCC1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H27NO2/c18-15(3-2-13-4-9-17-10-5-13)14-6-11-19-16(12-14)7-1-8-16/h13-14,17H,1-12H2
InChIKeyNBVOZPRFIRJHPO-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-piperidin-4-ylpropan-1-one
CID 116563375
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116605977
1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-3-ylethanone
CID 116564109
3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
CID 115788253
1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one
CID 116572227
4-chloro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 79921451
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-3-ylethanone
CID 116583409
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one
CID 115787777
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-3-ylethanone
CID 116583410
2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921956
2-cyclopentyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanone
CID 115788317
4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 79922076

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one?
The IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one (CID 116563307) is 1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one.
What is the SMILES notation for 1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one?
The canonical SMILES for 1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one is O=C(CCC1CCNCC1)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one?
The InChIKey is NBVOZPRFIRJHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c18-15(3-2-13-4-9-17-10-5-13)14-6-11-19-16(12-14)7-1-8-16/h13-14,17H,1-12H2.
What are the key properties of 1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one?
1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one has a molecular weight of 265.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one is sourced from PubChem (CID 116563307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).