1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one

C15H25NO2 — CID 102898097

IUPAC1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one
SMILESO=C1CCN(CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C15H25NO2/c17-13-5-10-16(11-6-13)12-14-4-9-15(18-14)7-2-1-3-8-15/h14H,1-12H2
InChIKeyRYOWOSBURWYOGZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.53
Rot. Bonds2

About 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one

1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one (PubChem CID 102898097) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one.

Molecular Properties

Compound Name1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one
PubChem CID102898097
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one
SMILESO=C1CCN(CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C15H25NO2/c17-13-5-10-16(11-6-13)12-14-4-9-15(18-14)7-2-1-3-8-15/h14H,1-12H2
InChIKeyRYOWOSBURWYOGZ-UHFFFAOYSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one?
The IUPAC name of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one (CID 102898097) is 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one.
What is the SMILES notation for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one?
The canonical SMILES for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one is O=C1CCN(CC2CCC3(CCCCC3)O2)CC1.
What is the InChIKey of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one?
The InChIKey is RYOWOSBURWYOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-13-5-10-16(11-6-13)12-14-4-9-15(18-14)7-2-1-3-8-15/h14H,1-12H2.
What are the key properties of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one?
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one has a molecular weight of 251.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one is sourced from PubChem (CID 102898097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).