1-(2,3-dihydrofuran-5-yl)-3-piperidin-4-yloxypropan-1-one

C12H19NO3 — CID 102652480

IUPAC1-(2,3-dihydrofuran-5-yl)-3-piperidin-4-yloxypropan-1-one
SMILESO=C(CCOC1CCNCC1)C1=CCCO1
InChIInChI=1S/C12H19NO3/c14-11(12-2-1-8-16-12)5-9-15-10-3-6-13-7-4-10/h2,10,13H,1,3-9H2
InChIKeyQYIMJCRAQXLTHO-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.02
Rot. Bonds5

About 1-(2,3-dihydrofuran-5-yl)-3-piperidin-4-yloxypropan-1-one

1-(2,3-dihydrofuran-5-yl)-3-piperidin-4-yloxypropan-1-one (PubChem CID 102652480) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-3-piperidin-4-yloxypropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-3-piperidin-4-yloxypropan-1-one
PubChem CID102652480
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(2,3-dihydrofuran-5-yl)-3-piperidin-4-yloxypropan-1-one
SMILESO=C(CCOC1CCNCC1)C1=CCCO1
InChIInChI=1S/C12H19NO3/c14-11(12-2-1-8-16-12)5-9-15-10-3-6-13-7-4-10/h2,10,13H,1,3-9H2
InChIKeyQYIMJCRAQXLTHO-UHFFFAOYSA-N
XLogP1.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3-piperidin-4-yloxypropan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3-piperidin-4-yloxypropan-1-one (CID 102652480) is 1-(2,3-dihydrofuran-5-yl)-3-piperidin-4-yloxypropan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-3-piperidin-4-yloxypropan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-3-piperidin-4-yloxypropan-1-one is O=C(CCOC1CCNCC1)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-3-piperidin-4-yloxypropan-1-one?
The InChIKey is QYIMJCRAQXLTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(12-2-1-8-16-12)5-9-15-10-3-6-13-7-4-10/h2,10,13H,1,3-9H2.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-3-piperidin-4-yloxypropan-1-one?
1-(2,3-dihydrofuran-5-yl)-3-piperidin-4-yloxypropan-1-one has a molecular weight of 225.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-3-piperidin-4-yloxypropan-1-one is sourced from PubChem (CID 102652480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).