3-(oxan-4-yl)piperidin-2-one

C10H17NO2 — CID 91360113

IUPAC3-(oxan-4-yl)piperidin-2-one
SMILESO=C1NCCCC1C1CCOCC1
InChIInChI=1S/C10H17NO2/c12-10-9(2-1-5-11-10)8-3-6-13-7-4-8/h8-9H,1-7H2,(H,11,12)
InChIKeyIVMKMPVENPOXGI-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds1

About 3-(oxan-4-yl)piperidin-2-one

3-(oxan-4-yl)piperidin-2-one (PubChem CID 91360113) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(oxan-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-(oxan-4-yl)piperidin-2-one
PubChem CID91360113
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-(oxan-4-yl)piperidin-2-one
SMILESO=C1NCCCC1C1CCOCC1
InChIInChI=1S/C10H17NO2/c12-10-9(2-1-5-11-10)8-3-6-13-7-4-8/h8-9H,1-7H2,(H,11,12)
InChIKeyIVMKMPVENPOXGI-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)piperidin-2-one?
The IUPAC name of 3-(oxan-4-yl)piperidin-2-one (CID 91360113) is 3-(oxan-4-yl)piperidin-2-one.
What is the SMILES notation for 3-(oxan-4-yl)piperidin-2-one?
The canonical SMILES for 3-(oxan-4-yl)piperidin-2-one is O=C1NCCCC1C1CCOCC1.
What is the InChIKey of 3-(oxan-4-yl)piperidin-2-one?
The InChIKey is IVMKMPVENPOXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10-9(2-1-5-11-10)8-3-6-13-7-4-8/h8-9H,1-7H2,(H,11,12).
What are the key properties of 3-(oxan-4-yl)piperidin-2-one?
3-(oxan-4-yl)piperidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)piperidin-2-one is sourced from PubChem (CID 91360113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).