1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]ethanone

C17H29NO2 — CID 102898098

IUPAC1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(CC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C17H29NO2/c1-14(19)15-6-5-11-18(12-15)13-16-7-10-17(20-16)8-3-2-4-9-17/h15-16H,2-13H2,1H3
InChIKeyCLOVADPHFFWWGT-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.17
Rot. Bonds3

About 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]ethanone

1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]ethanone (PubChem CID 102898098) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]ethanone
PubChem CID102898098
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(CC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C17H29NO2/c1-14(19)15-6-5-11-18(12-15)13-16-7-10-17(20-16)8-3-2-4-9-17/h15-16H,2-13H2,1H3
InChIKeyCLOVADPHFFWWGT-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]ethanone (CID 102898098) is 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]ethanone is CC(=O)C1CCCN(CC2CCC3(CCCCC3)O2)C1.
What is the InChIKey of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]ethanone?
The InChIKey is CLOVADPHFFWWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(19)15-6-5-11-18(12-15)13-16-7-10-17(20-16)8-3-2-4-9-17/h15-16H,2-13H2,1H3.
What are the key properties of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]ethanone?
1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]ethanone has a molecular weight of 279.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]ethanone is sourced from PubChem (CID 102898098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).