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

C14H23NO2 — CID 102898113

IUPAC1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-one
SMILESO=C1CCCN(CC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C14H23NO2/c16-12-4-3-9-15(10-12)11-13-5-8-14(17-13)6-1-2-7-14/h13H,1-11H2
InChIKeyKOBKDJUAHSOJDQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.14
Rot. Bonds2

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

1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-one (PubChem CID 102898113) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-one.

Molecular Properties

Compound Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-one
PubChem CID102898113
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-one
SMILESO=C1CCCN(CC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C14H23NO2/c16-12-4-3-9-15(10-12)11-13-5-8-14(17-13)6-1-2-7-14/h13H,1-11H2
InChIKeyKOBKDJUAHSOJDQ-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-one?
The IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-one (CID 102898113) is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-one.
What is the SMILES notation for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-one?
The canonical SMILES for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-one is O=C1CCCN(CC2CCC3(CCCC3)O2)C1.
What is the InChIKey of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-one?
The InChIKey is KOBKDJUAHSOJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-12-4-3-9-15(10-12)11-13-5-8-14(17-13)6-1-2-7-14/h13H,1-11H2.
What are the key properties of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-one?
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-one has a molecular weight of 237.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-one is sourced from PubChem (CID 102898113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).