oxan-4-yl(piperidin-3-yl)methanone

C11H19NO2 — CID 83686147

IUPACoxan-4-yl(piperidin-3-yl)methanone
SMILESO=C(C1CCOCC1)C1CCCNC1
InChIInChI=1S/C11H19NO2/c13-11(9-3-6-14-7-4-9)10-2-1-5-12-8-10/h9-10,12H,1-8H2
InChIKeyXDURFWWHNTZXID-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.98
Rot. Bonds2

About oxan-4-yl(piperidin-3-yl)methanone

oxan-4-yl(piperidin-3-yl)methanone (PubChem CID 83686147) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is oxan-4-yl(piperidin-3-yl)methanone.

Molecular Properties

Compound Nameoxan-4-yl(piperidin-3-yl)methanone
PubChem CID83686147
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameoxan-4-yl(piperidin-3-yl)methanone
SMILESO=C(C1CCOCC1)C1CCCNC1
InChIInChI=1S/C11H19NO2/c13-11(9-3-6-14-7-4-9)10-2-1-5-12-8-10/h9-10,12H,1-8H2
InChIKeyXDURFWWHNTZXID-UHFFFAOYSA-N
XLogP0.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl(piperidin-3-yl)methanone?
The IUPAC name of oxan-4-yl(piperidin-3-yl)methanone (CID 83686147) is oxan-4-yl(piperidin-3-yl)methanone.
What is the SMILES notation for oxan-4-yl(piperidin-3-yl)methanone?
The canonical SMILES for oxan-4-yl(piperidin-3-yl)methanone is O=C(C1CCOCC1)C1CCCNC1.
What is the InChIKey of oxan-4-yl(piperidin-3-yl)methanone?
The InChIKey is XDURFWWHNTZXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11(9-3-6-14-7-4-9)10-2-1-5-12-8-10/h9-10,12H,1-8H2.
What are the key properties of oxan-4-yl(piperidin-3-yl)methanone?
oxan-4-yl(piperidin-3-yl)methanone has a molecular weight of 197.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl(piperidin-3-yl)methanone is sourced from PubChem (CID 83686147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).