3-ethyl-1-octanoylpiperidin-4-one

C15H27NO2 — CID 114508255

IUPAC3-ethyl-1-octanoylpiperidin-4-one
SMILESCCCCCCCC(=O)N1CCC(=O)C(CC)C1
InChIInChI=1S/C15H27NO2/c1-3-5-6-7-8-9-15(18)16-11-10-14(17)13(4-2)12-16/h13H,3-12H2,1-2H3
InChIKeyPXWVGNDGGAUDAR-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.17
Rot. Bonds7

About 3-ethyl-1-octanoylpiperidin-4-one

3-ethyl-1-octanoylpiperidin-4-one (PubChem CID 114508255) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-ethyl-1-octanoylpiperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-octanoylpiperidin-4-one
PubChem CID114508255
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-ethyl-1-octanoylpiperidin-4-one
SMILESCCCCCCCC(=O)N1CCC(=O)C(CC)C1
InChIInChI=1S/C15H27NO2/c1-3-5-6-7-8-9-15(18)16-11-10-14(17)13(4-2)12-16/h13H,3-12H2,1-2H3
InChIKeyPXWVGNDGGAUDAR-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)octan-1-one
CID 104931312
3-ethyl-4-oxopiperidine-1-carboxamide
CID 114508445
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
3-ethyl-1-(2-methylpentanoyl)piperidin-4-one
CID 114508100
3-ethyl-1-(2-phenylacetyl)piperidin-4-one
CID 114508365
1-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474
N,3-diethyl-4-oxopiperidine-1-carboxamide
CID 114508449
1-(3-hydroxyazetidin-1-yl)nonan-1-one
CID 63105492
1-(3-hydroxyazetidin-1-yl)dodecan-1-one
CID 65428081
1-(3,4-dihydroxypyrrolidin-1-yl)octan-1-one
CID 86230613
1-(3-chloropyrrolidin-1-yl)hexan-1-one
CID 63394452
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-octanoylpiperidin-4-one?
The IUPAC name of 3-ethyl-1-octanoylpiperidin-4-one (CID 114508255) is 3-ethyl-1-octanoylpiperidin-4-one.
What is the SMILES notation for 3-ethyl-1-octanoylpiperidin-4-one?
The canonical SMILES for 3-ethyl-1-octanoylpiperidin-4-one is CCCCCCCC(=O)N1CCC(=O)C(CC)C1.
What is the InChIKey of 3-ethyl-1-octanoylpiperidin-4-one?
The InChIKey is PXWVGNDGGAUDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-5-6-7-8-9-15(18)16-11-10-14(17)13(4-2)12-16/h13H,3-12H2,1-2H3.
What are the key properties of 3-ethyl-1-octanoylpiperidin-4-one?
3-ethyl-1-octanoylpiperidin-4-one has a molecular weight of 253.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-octanoylpiperidin-4-one is sourced from PubChem (CID 114508255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).