1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one

C16H27NO2 — CID 115276326

IUPAC1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one
SMILESCC1(C)CCC(=O)CN1C(=O)CCCC1CCCC1
InChIInChI=1S/C16H27NO2/c1-16(2)11-10-14(18)12-17(16)15(19)9-5-8-13-6-3-4-7-13/h13H,3-12H2,1-2H3
InChIKeySRKCCSDGZIAZKD-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.32
Rot. Bonds4

About 1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one

1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one (PubChem CID 115276326) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one.

Molecular Properties

Compound Name1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one
PubChem CID115276326
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one
SMILESCC1(C)CCC(=O)CN1C(=O)CCCC1CCCC1
InChIInChI=1S/C16H27NO2/c1-16(2)11-10-14(18)12-17(16)15(19)9-5-8-13-6-3-4-7-13/h13H,3-12H2,1-2H3
InChIKeySRKCCSDGZIAZKD-UHFFFAOYSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butanoyl-6,6-dimethylpiperidin-3-one
CID 115269445
6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-one
CID 115276298
1-(cyclopentanecarbonyl)-6,6-dimethylpiperidin-3-one
CID 115276279
1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one
CID 115275751
5,5-dimethyl-1-[4-(1-methylpyrrolidin-3-yl)butanoyl]pyrrolidin-3-one
CID 115275617
6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one
CID 115276324
4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 80707393
5-cyclopentylpentan-2-one
CID 18433881
4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one
CID 115276559
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one?
The IUPAC name of 1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one (CID 115276326) is 1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one.
What is the SMILES notation for 1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one?
The canonical SMILES for 1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one is CC1(C)CCC(=O)CN1C(=O)CCCC1CCCC1.
What is the InChIKey of 1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one?
The InChIKey is SRKCCSDGZIAZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-16(2)11-10-14(18)12-17(16)15(19)9-5-8-13-6-3-4-7-13/h13H,3-12H2,1-2H3.
What are the key properties of 1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one?
1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one has a molecular weight of 265.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylbutanoyl)-6,6-dimethylpiperidin-3-one is sourced from PubChem (CID 115276326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).