1-(3,3-dimethylbutanoyl)piperidin-4-one

C11H19NO2 — CID 21064653

IUPAC1-(3,3-dimethylbutanoyl)piperidin-4-one
SMILESCC(C)(C)CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)8-10(14)12-6-4-9(13)5-7-12/h4-8H2,1-3H3
InChIKeySCAXEUDMNMTWHW-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.61
Rot. Bonds1

About 1-(3,3-dimethylbutanoyl)piperidin-4-one

1-(3,3-dimethylbutanoyl)piperidin-4-one (PubChem CID 21064653) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(3,3-dimethylbutanoyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3,3-dimethylbutanoyl)piperidin-4-one
PubChem CID21064653
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(3,3-dimethylbutanoyl)piperidin-4-one
SMILESCC(C)(C)CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)8-10(14)12-6-4-9(13)5-7-12/h4-8H2,1-3H3
InChIKeySCAXEUDMNMTWHW-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Diacetylpiperidine
CID 2777250
1-(Piperidin-1-yl)butane-1,3-dione
CID 246774
Piperidine, 1-(3-oxo-2,2,4-trimethylvaleryl)-
CID 99355
Piperidine,1-(2,2,4,4-tetramethylvaleryl)-
CID 208728
1-Propanoylpiperidin-4-one
CID 18913727
3-Methyl-1-(1-piperidinyl)-1-butanone
CID 4075318
4,4-Dimethyl-1-(piperidin-1-yl)pentan-3-one
CID 915111
1-(3-Methylpiperidin-1-yl)butane-1,3-dione
CID 296334
1-Acetoacetyl-4-Methylpiperidine
CID 296335
4-(3,3-Dimethylpiperidin-1-yl)butan-2-one
CID 64063300
3-Methyl-1-piperidin-1-ylbutane-1,2-dione
CID 85826753
1-(2-Methylbutyryl)piperidine
CID 3016453

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutanoyl)piperidin-4-one?
The IUPAC name of 1-(3,3-dimethylbutanoyl)piperidin-4-one (CID 21064653) is 1-(3,3-dimethylbutanoyl)piperidin-4-one.
What is the SMILES notation for 1-(3,3-dimethylbutanoyl)piperidin-4-one?
The canonical SMILES for 1-(3,3-dimethylbutanoyl)piperidin-4-one is CC(C)(C)CC(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-(3,3-dimethylbutanoyl)piperidin-4-one?
The InChIKey is SCAXEUDMNMTWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)8-10(14)12-6-4-9(13)5-7-12/h4-8H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutanoyl)piperidin-4-one?
1-(3,3-dimethylbutanoyl)piperidin-4-one has a molecular weight of 197.28 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutanoyl)piperidin-4-one is sourced from PubChem (CID 21064653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).