3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-one

C15H25NO2 — CID 102898114

IUPAC3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-one
SMILESCC1CN(CC2CCC3(CCCC3)O2)CCC1=O
InChIInChI=1S/C15H25NO2/c1-12-10-16(9-5-14(12)17)11-13-4-8-15(18-13)6-2-3-7-15/h12-13H,2-11H2,1H3
InChIKeyISMJUIMLYXWNLV-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.39
Rot. Bonds2

About 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-one

3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-one (PubChem CID 102898114) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-one
PubChem CID102898114
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-one
SMILESCC1CN(CC2CCC3(CCCC3)O2)CCC1=O
InChIInChI=1S/C15H25NO2/c1-12-10-16(9-5-14(12)17)11-13-4-8-15(18-13)6-2-3-7-15/h12-13H,2-11H2,1H3
InChIKeyISMJUIMLYXWNLV-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-one?
The IUPAC name of 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-one (CID 102898114) is 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-one.
What is the SMILES notation for 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-one?
The canonical SMILES for 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-one is CC1CN(CC2CCC3(CCCC3)O2)CCC1=O.
What is the InChIKey of 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-one?
The InChIKey is ISMJUIMLYXWNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12-10-16(9-5-14(12)17)11-13-4-8-15(18-13)6-2-3-7-15/h12-13H,2-11H2,1H3.
What are the key properties of 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-one?
3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-one has a molecular weight of 251.37 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-one is sourced from PubChem (CID 102898114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).