1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one

C17H29NO3 — CID 116572227

IUPAC1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one
SMILESO=C(CCOC1CCNCC1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H29NO3/c19-16(6-11-20-15-3-9-18-10-4-15)14-5-12-21-17(13-14)7-1-2-8-17/h14-15,18H,1-13H2
InChIKeyRONWZZUMYZEJLN-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.45
Rot. Bonds5

About 1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one

1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one (PubChem CID 116572227) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one.

Molecular Properties

Compound Name1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one
PubChem CID116572227
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one
SMILESO=C(CCOC1CCNCC1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H29NO3/c19-16(6-11-20-15-3-9-18-10-4-15)14-5-12-21-17(13-14)7-1-2-8-17/h14-15,18H,1-13H2
InChIKeyRONWZZUMYZEJLN-UHFFFAOYSA-N
XLogP2.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one
CID 116563307
4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 79922076
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one
CID 115787777
4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 105119058
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-piperidin-4-ylpropan-1-one
CID 116563375
4-chloro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 79921451
2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 114032509
1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-3-ylethanone
CID 116564109
1-(4-methylcyclohexyl)-3-piperidin-4-yloxypropan-1-one
CID 116572370
6-azaspiro[2.5]octan-2-yl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116573069
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-ethoxypropan-1-one
CID 105116599
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-one
CID 105116596

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one?
The IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one (CID 116572227) is 1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one.
What is the SMILES notation for 1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one?
The canonical SMILES for 1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one is O=C(CCOC1CCNCC1)C1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one?
The InChIKey is RONWZZUMYZEJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c19-16(6-11-20-15-3-9-18-10-4-15)14-5-12-21-17(13-14)7-1-2-8-17/h14-15,18H,1-13H2.
What are the key properties of 1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one?
1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one has a molecular weight of 295.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one is sourced from PubChem (CID 116572227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).