3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one

C14H25NO2 — CID 115276610

IUPAC3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one
SMILESCC(C)CCCC(=O)N1CCC(=O)C(C)(C)C1
InChIInChI=1S/C14H25NO2/c1-11(2)6-5-7-13(17)15-9-8-12(16)14(3,4)10-15/h11H,5-10H2,1-4H3
InChIKeyDKROYMDFKZUAOA-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.64
Rot. Bonds4

About 3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one

3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one (PubChem CID 115276610) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one
PubChem CID115276610
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one
SMILESCC(C)CCCC(=O)N1CCC(=O)C(C)(C)C1
InChIInChI=1S/C14H25NO2/c1-11(2)6-5-7-13(17)15-9-8-12(16)14(3,4)10-15/h11H,5-10H2,1-4H3
InChIKeyDKROYMDFKZUAOA-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one?
The IUPAC name of 3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one (CID 115276610) is 3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one.
What is the SMILES notation for 3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one?
The canonical SMILES for 3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one is CC(C)CCCC(=O)N1CCC(=O)C(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one?
The InChIKey is DKROYMDFKZUAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)6-5-7-13(17)15-9-8-12(16)14(3,4)10-15/h11H,5-10H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one?
3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one has a molecular weight of 239.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one is sourced from PubChem (CID 115276610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).