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

C17H29NO2 — CID 102898116

IUPAC3-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one
SMILESCCC1CN(CC2CCC3(CCCCC3)O2)CCC1=O
InChIInChI=1S/C17H29NO2/c1-2-14-12-18(11-7-16(14)19)13-15-6-10-17(20-15)8-4-3-5-9-17/h14-15H,2-13H2,1H3
InChIKeyVNFUNOIZCFZLQP-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.17
Rot. Bonds3

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

3-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one (PubChem CID 102898116) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one
PubChem CID102898116
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one
SMILESCCC1CN(CC2CCC3(CCCCC3)O2)CCC1=O
InChIInChI=1S/C17H29NO2/c1-2-14-12-18(11-7-16(14)19)13-15-6-10-17(20-15)8-4-3-5-9-17/h14-15H,2-13H2,1H3
InChIKeyVNFUNOIZCFZLQP-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 3-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one?
The IUPAC name of 3-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one (CID 102898116) is 3-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one?
The canonical SMILES for 3-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one is CCC1CN(CC2CCC3(CCCCC3)O2)CCC1=O.
What is the InChIKey of 3-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one?
The InChIKey is VNFUNOIZCFZLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-2-14-12-18(11-7-16(14)19)13-15-6-10-17(20-15)8-4-3-5-9-17/h14-15H,2-13H2,1H3.
What are the key properties of 3-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one?
3-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one 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 3-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one is sourced from PubChem (CID 102898116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).