1-(oxan-3-yl)-3-piperidin-3-ylpropan-1-one

C13H23NO2 — CID 107138335

IUPAC1-(oxan-3-yl)-3-piperidin-3-ylpropan-1-one
SMILESO=C(CCC1CCCNC1)C1CCCOC1
InChIInChI=1S/C13H23NO2/c15-13(12-4-2-8-16-10-12)6-5-11-3-1-7-14-9-11/h11-12,14H,1-10H2
InChIKeyPVKQACIWYDBBHR-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.76
Rot. Bonds4

About 1-(oxan-3-yl)-3-piperidin-3-ylpropan-1-one

1-(oxan-3-yl)-3-piperidin-3-ylpropan-1-one (PubChem CID 107138335) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(oxan-3-yl)-3-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(oxan-3-yl)-3-piperidin-3-ylpropan-1-one
PubChem CID107138335
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(oxan-3-yl)-3-piperidin-3-ylpropan-1-one
SMILESO=C(CCC1CCCNC1)C1CCCOC1
InChIInChI=1S/C13H23NO2/c15-13(12-4-2-8-16-10-12)6-5-11-3-1-7-14-9-11/h11-12,14H,1-10H2
InChIKeyPVKQACIWYDBBHR-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-3-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-(oxan-3-yl)-3-piperidin-3-ylpropan-1-one (CID 107138335) is 1-(oxan-3-yl)-3-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(oxan-3-yl)-3-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-(oxan-3-yl)-3-piperidin-3-ylpropan-1-one is O=C(CCC1CCCNC1)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)-3-piperidin-3-ylpropan-1-one?
The InChIKey is PVKQACIWYDBBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-13(12-4-2-8-16-10-12)6-5-11-3-1-7-14-9-11/h11-12,14H,1-10H2.
What are the key properties of 1-(oxan-3-yl)-3-piperidin-3-ylpropan-1-one?
1-(oxan-3-yl)-3-piperidin-3-ylpropan-1-one has a molecular weight of 225.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-3-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 107138335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).