3-ethyl-1-(2-methylpentanoyl)piperidin-4-one

C13H23NO2 — CID 114508100

IUPAC3-ethyl-1-(2-methylpentanoyl)piperidin-4-one
SMILESCCCC(C)C(=O)N1CCC(=O)C(CC)C1
InChIInChI=1S/C13H23NO2/c1-4-6-10(3)13(16)14-8-7-12(15)11(5-2)9-14/h10-11H,4-9H2,1-3H3
InChIKeyHUJURLSXKWNHJB-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.25
Rot. Bonds4

About 3-ethyl-1-(2-methylpentanoyl)piperidin-4-one

3-ethyl-1-(2-methylpentanoyl)piperidin-4-one (PubChem CID 114508100) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-ethyl-1-(2-methylpentanoyl)piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(2-methylpentanoyl)piperidin-4-one
PubChem CID114508100
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-ethyl-1-(2-methylpentanoyl)piperidin-4-one
SMILESCCCC(C)C(=O)N1CCC(=O)C(CC)C1
InChIInChI=1S/C13H23NO2/c1-4-6-10(3)13(16)14-8-7-12(15)11(5-2)9-14/h10-11H,4-9H2,1-3H3
InChIKeyHUJURLSXKWNHJB-UHFFFAOYSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-4-oxopiperidine-1-carboxamide
CID 114508445
N,3-diethyl-4-oxopiperidine-1-carboxamide
CID 114508449
3-ethyl-1-octanoylpiperidin-4-one
CID 114508255
(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpentan-1-one
CID 26832725
1-benzoyl-3-ethylpiperidin-4-one
CID 114508143
3-ethyl-1-(2-oxopentyl)piperidin-4-one
CID 114509766
1-(2-methylpentanoyl)piperidine-4-carboxylic acid
CID 43209769
1-[4-(1-bromoethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 106839235
3-ethyl-1-(2-phenylacetyl)piperidin-4-one
CID 114508365
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
4-(2-methylpentanoyl)piperazin-2-one
CID 42930413
1-(4-tert-butylcyclohexanecarbonyl)-3-ethylpiperidin-4-one
CID 114508264

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methylpentanoyl)piperidin-4-one?
The IUPAC name of 3-ethyl-1-(2-methylpentanoyl)piperidin-4-one (CID 114508100) is 3-ethyl-1-(2-methylpentanoyl)piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-(2-methylpentanoyl)piperidin-4-one?
The canonical SMILES for 3-ethyl-1-(2-methylpentanoyl)piperidin-4-one is CCCC(C)C(=O)N1CCC(=O)C(CC)C1.
What is the InChIKey of 3-ethyl-1-(2-methylpentanoyl)piperidin-4-one?
The InChIKey is HUJURLSXKWNHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-6-10(3)13(16)14-8-7-12(15)11(5-2)9-14/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-1-(2-methylpentanoyl)piperidin-4-one?
3-ethyl-1-(2-methylpentanoyl)piperidin-4-one has a molecular weight of 225.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methylpentanoyl)piperidin-4-one is sourced from PubChem (CID 114508100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).