1-(6-methylheptanoyl)piperidin-3-one

C13H23NO2 — CID 115277157

IUPAC1-(6-methylheptanoyl)piperidin-3-one
SMILESCC(C)CCCCC(=O)N1CCCC(=O)C1
InChIInChI=1S/C13H23NO2/c1-11(2)6-3-4-8-13(16)14-9-5-7-12(15)10-14/h11H,3-10H2,1-2H3
InChIKeyIOKFIXDEDYDTSV-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.39
Rot. Bonds5

About 1-(6-methylheptanoyl)piperidin-3-one

1-(6-methylheptanoyl)piperidin-3-one (PubChem CID 115277157) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(6-methylheptanoyl)piperidin-3-one.

Molecular Properties

Compound Name1-(6-methylheptanoyl)piperidin-3-one
PubChem CID115277157
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(6-methylheptanoyl)piperidin-3-one
SMILESCC(C)CCCCC(=O)N1CCCC(=O)C1
InChIInChI=1S/C13H23NO2/c1-11(2)6-3-4-8-13(16)14-9-5-7-12(15)10-14/h11H,3-10H2,1-2H3
InChIKeyIOKFIXDEDYDTSV-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.39
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

15-methyl-1-piperidin-1-ylhexadecan-1-one
CID 57076776
1-[(2S)-2-aminopropanoyl]piperidin-3-one
CID 66564387
1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one
CID 115277163
1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one
CID 130943642
11-methyl-1-(2-sulfanylidenepyrrolidin-1-yl)dodecane-1,5-dione
CID 58371214
1-(3-morpholin-4-ylpropanoyl)piperidin-3-one
CID 112536098
1-[4-(5-bromothiophen-2-yl)butanoyl]piperidin-3-one
CID 115277162
3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one
CID 115276610
1-[2-(2,4,5-trimethylphenyl)acetyl]piperidin-3-one
CID 115277111
9-methyl-1-pyrrolidin-1-yltetradecan-1-one
CID 91705079
1-(3-acetylphenyl)-4-(6-methylheptanoyl)piperazin-2-one
CID 166101289
1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one
CID 112536102

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylheptanoyl)piperidin-3-one?
The IUPAC name of 1-(6-methylheptanoyl)piperidin-3-one (CID 115277157) is 1-(6-methylheptanoyl)piperidin-3-one.
What is the SMILES notation for 1-(6-methylheptanoyl)piperidin-3-one?
The canonical SMILES for 1-(6-methylheptanoyl)piperidin-3-one is CC(C)CCCCC(=O)N1CCCC(=O)C1.
What is the InChIKey of 1-(6-methylheptanoyl)piperidin-3-one?
The InChIKey is IOKFIXDEDYDTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(2)6-3-4-8-13(16)14-9-5-7-12(15)10-14/h11H,3-10H2,1-2H3.
What are the key properties of 1-(6-methylheptanoyl)piperidin-3-one?
1-(6-methylheptanoyl)piperidin-3-one has a molecular weight of 225.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylheptanoyl)piperidin-3-one is sourced from PubChem (CID 115277157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).