1-(4-propanoylpiperidin-1-yl)pentane-1,4-dione

C13H21NO3 — CID 84581771

IUPAC1-(4-propanoylpiperidin-1-yl)pentane-1,4-dione
SMILESCCC(=O)C1CCN(C(=O)CCC(C)=O)CC1
InChIInChI=1S/C13H21NO3/c1-3-12(16)11-6-8-14(9-7-11)13(17)5-4-10(2)15/h11H,3-9H2,1-2H3
InChIKeyXTEZDSZEEOMOIP-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.57
Rot. Bonds5

About 1-(4-propanoylpiperidin-1-yl)pentane-1,4-dione

1-(4-propanoylpiperidin-1-yl)pentane-1,4-dione (PubChem CID 84581771) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(4-propanoylpiperidin-1-yl)pentane-1,4-dione.

Molecular Properties

Compound Name1-(4-propanoylpiperidin-1-yl)pentane-1,4-dione
PubChem CID84581771
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(4-propanoylpiperidin-1-yl)pentane-1,4-dione
SMILESCCC(=O)C1CCN(C(=O)CCC(C)=O)CC1
InChIInChI=1S/C13H21NO3/c1-3-12(16)11-6-8-14(9-7-11)13(17)5-4-10(2)15/h11H,3-9H2,1-2H3
InChIKeyXTEZDSZEEOMOIP-UHFFFAOYSA-N
XLogP1.57
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536917
1-(4-methylpiperidin-1-yl)hexane-1,5-dione
CID 156884864
N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 65415873
3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536925
1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one
CID 112536906
1-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]pentane-1,4-dione
CID 108544689
methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
CID 108567119
ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate
CID 108570118
1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione
CID 103533267
methyl 1-heptanoylpiperidine-4-carboxylate
CID 43423316
1-pentanoyl-N,N-dipropylpiperidine-4-carboxamide
CID 113005874
ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
CID 22692245

Frequently Asked Questions

What is the IUPAC name of 1-(4-propanoylpiperidin-1-yl)pentane-1,4-dione?
The IUPAC name of 1-(4-propanoylpiperidin-1-yl)pentane-1,4-dione (CID 84581771) is 1-(4-propanoylpiperidin-1-yl)pentane-1,4-dione.
What is the SMILES notation for 1-(4-propanoylpiperidin-1-yl)pentane-1,4-dione?
The canonical SMILES for 1-(4-propanoylpiperidin-1-yl)pentane-1,4-dione is CCC(=O)C1CCN(C(=O)CCC(C)=O)CC1.
What is the InChIKey of 1-(4-propanoylpiperidin-1-yl)pentane-1,4-dione?
The InChIKey is XTEZDSZEEOMOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-12(16)11-6-8-14(9-7-11)13(17)5-4-10(2)15/h11H,3-9H2,1-2H3.
What are the key properties of 1-(4-propanoylpiperidin-1-yl)pentane-1,4-dione?
1-(4-propanoylpiperidin-1-yl)pentane-1,4-dione has a molecular weight of 239.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propanoylpiperidin-1-yl)pentane-1,4-dione is sourced from PubChem (CID 84581771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).