1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one

C13H23NO2 — CID 107138340

IUPAC1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one
SMILESO=C(CCC1CCCCN1)C1CCCOC1
InChIInChI=1S/C13H23NO2/c15-13(11-4-3-9-16-10-11)7-6-12-5-1-2-8-14-12/h11-12,14H,1-10H2
InChIKeyXDZUUAOKNAMEFY-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.90
Rot. Bonds4

About 1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one

1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one (PubChem CID 107138340) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one
PubChem CID107138340
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one
SMILESO=C(CCC1CCCCN1)C1CCCOC1
InChIInChI=1S/C13H23NO2/c15-13(11-4-3-9-16-10-11)7-6-12-5-1-2-8-14-12/h11-12,14H,1-10H2
InChIKeyXDZUUAOKNAMEFY-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylcyclohexyl)-3-piperidin-2-ylpropan-1-one
CID 116563596
[(3S)-oxan-3-yl]-[(2R)-piperidin-2-yl]methanone
CID 124675210
3-(azepan-2-yl)propanoic acid
CID 69475849
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone
CID 107138448
oxan-4-yl 3-piperidin-2-ylpropanoate
CID 62217058
2-bromo-1-(oxan-3-yl)ethanone
CID 75356444
1-(oxan-3-yl)pentan-1-one
CID 65332332
6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one
CID 116563772
N-methyl-3-[(2S)-piperidin-2-yl]propanamide
CID 94374343
3-(dimethylamino)-1-(oxan-3-yl)propan-1-one
CID 107135975
2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone
CID 130757980
1-cyclopentyl-2-(oxan-3-yl)ethanone
CID 107135385

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one?
The IUPAC name of 1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one (CID 107138340) is 1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one.
What is the SMILES notation for 1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one?
The canonical SMILES for 1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one is O=C(CCC1CCCCN1)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one?
The InChIKey is XDZUUAOKNAMEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-13(11-4-3-9-16-10-11)7-6-12-5-1-2-8-14-12/h11-12,14H,1-10H2.
What are the key properties of 1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one?
1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one has a molecular weight of 225.33 g/mol, XLogP of 1.90, 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-2-ylpropan-1-one is sourced from PubChem (CID 107138340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).