4-piperidin-1-yl-1-oxaspiro[4.5]dec-3-en-2-one

C14H21NO2 — CID 770244

IUPAC4-piperidin-1-yl-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(N2CCCCC2)C2(CCCCC2)O1
InChIInChI=1S/C14H21NO2/c16-13-11-12(15-9-5-2-6-10-15)14(17-13)7-3-1-4-8-14/h11H,1-10H2
InChIKeyDNWVUTDCWOCQHG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.62
Rot. Bonds1

About 4-piperidin-1-yl-1-oxaspiro[4.5]dec-3-en-2-one

4-piperidin-1-yl-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 770244) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-piperidin-1-yl-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID770244
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-piperidin-1-yl-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(N2CCCCC2)C2(CCCCC2)O1
InChIInChI=1S/C14H21NO2/c16-13-11-12(15-9-5-2-6-10-15)14(17-13)7-3-1-4-8-14/h11H,1-10H2
InChIKeyDNWVUTDCWOCQHG-UHFFFAOYSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-piperidin-1-yl-1-oxaspiro[4.5]dec-3-en-2-one (CID 770244) is 4-piperidin-1-yl-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-piperidin-1-yl-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-piperidin-1-yl-1-oxaspiro[4.5]dec-3-en-2-one is O=C1C=C(N2CCCCC2)C2(CCCCC2)O1.
What is the InChIKey of 4-piperidin-1-yl-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is DNWVUTDCWOCQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-13-11-12(15-9-5-2-6-10-15)14(17-13)7-3-1-4-8-14/h11H,1-10H2.
What are the key properties of 4-piperidin-1-yl-1-oxaspiro[4.5]dec-3-en-2-one?
4-piperidin-1-yl-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 770244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).