1-butanoyl-6,6-dimethylpiperidin-3-one

C11H19NO2 — CID 115269445

IUPAC1-butanoyl-6,6-dimethylpiperidin-3-one
SMILESCCCC(=O)N1CC(=O)CCC1(C)C
InChIInChI=1S/C11H19NO2/c1-4-5-10(14)12-8-9(13)6-7-11(12,2)3/h4-8H2,1-3H3
InChIKeyPKDWIENCGVDHLT-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.76
Rot. Bonds2

About 1-butanoyl-6,6-dimethylpiperidin-3-one

1-butanoyl-6,6-dimethylpiperidin-3-one (PubChem CID 115269445) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-butanoyl-6,6-dimethylpiperidin-3-one.

Molecular Properties

Compound Name1-butanoyl-6,6-dimethylpiperidin-3-one
PubChem CID115269445
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-butanoyl-6,6-dimethylpiperidin-3-one
SMILESCCCC(=O)N1CC(=O)CCC1(C)C
InChIInChI=1S/C11H19NO2/c1-4-5-10(14)12-8-9(13)6-7-11(12,2)3/h4-8H2,1-3H3
InChIKeyPKDWIENCGVDHLT-UHFFFAOYSA-N
XLogP1.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one
CID 115276326
6,6-dimethyl-1-(3-thiophen-2-ylpropanoyl)piperidin-3-one
CID 115276306
6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-one
CID 115276298
6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one
CID 115276324
1-[2-(4-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one
CID 115269472
1-[2-(4-bromophenyl)acetyl]-6,6-dimethylpiperidin-3-one
CID 115269490
1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one
CID 115269480
1-(4-ethylbenzoyl)-6,6-dimethylpiperidin-3-one
CID 115276264
1-(cyclopentanecarbonyl)-6,6-dimethylpiperidin-3-one
CID 115276279
6,6-dimethyl-1-(oxane-4-carbonyl)piperidin-3-one
CID 115269494
(2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid
CID 91509237
1-(5-bromothiophene-2-carbonyl)-6,6-dimethylpiperidin-3-one
CID 115276268

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-6,6-dimethylpiperidin-3-one?
The IUPAC name of 1-butanoyl-6,6-dimethylpiperidin-3-one (CID 115269445) is 1-butanoyl-6,6-dimethylpiperidin-3-one.
What is the SMILES notation for 1-butanoyl-6,6-dimethylpiperidin-3-one?
The canonical SMILES for 1-butanoyl-6,6-dimethylpiperidin-3-one is CCCC(=O)N1CC(=O)CCC1(C)C.
What is the InChIKey of 1-butanoyl-6,6-dimethylpiperidin-3-one?
The InChIKey is PKDWIENCGVDHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-5-10(14)12-8-9(13)6-7-11(12,2)3/h4-8H2,1-3H3.
What are the key properties of 1-butanoyl-6,6-dimethylpiperidin-3-one?
1-butanoyl-6,6-dimethylpiperidin-3-one has a molecular weight of 197.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-6,6-dimethylpiperidin-3-one is sourced from PubChem (CID 115269445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).