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

C16H27NO2 — CID 102898115

IUPAC3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one
SMILESCC1CN(CC2CCC3(CCCCC3)O2)CCC1=O
InChIInChI=1S/C16H27NO2/c1-13-11-17(10-6-15(13)18)12-14-5-9-16(19-14)7-3-2-4-8-16/h13-14H,2-12H2,1H3
InChIKeyWFJHKSYIRGFJPB-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.78
Rot. Bonds2

About 3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one

3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one (PubChem CID 102898115) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one
PubChem CID102898115
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one
SMILESCC1CN(CC2CCC3(CCCCC3)O2)CCC1=O
InChIInChI=1S/C16H27NO2/c1-13-11-17(10-6-15(13)18)12-14-5-9-16(19-14)7-3-2-4-8-16/h13-14H,2-12H2,1H3
InChIKeyWFJHKSYIRGFJPB-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.78
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[4.5]decan-2-ylmethyl)piperidin-4-one?
The IUPAC name of 3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one (CID 102898115) is 3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one.
What is the SMILES notation for 3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one?
The canonical SMILES for 3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one is CC1CN(CC2CCC3(CCCCC3)O2)CCC1=O.
What is the InChIKey of 3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one?
The InChIKey is WFJHKSYIRGFJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13-11-17(10-6-15(13)18)12-14-5-9-16(19-14)7-3-2-4-8-16/h13-14H,2-12H2,1H3.
What are the key properties of 3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one?
3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one has a molecular weight of 265.40 g/mol, XLogP of 2.78, 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[4.5]decan-2-ylmethyl)piperidin-4-one is sourced from PubChem (CID 102898115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).