6,6-dimethyl-1-(3-thiophen-2-ylpropanoyl)piperidin-3-one

C14H19NO2S — CID 115276306

IUPAC6,6-dimethyl-1-(3-thiophen-2-ylpropanoyl)piperidin-3-one
SMILESCC1(C)CCC(=O)CN1C(=O)CCc1cccs1
InChIInChI=1S/C14H19NO2S/c1-14(2)8-7-11(16)10-15(14)13(17)6-5-12-4-3-9-18-12/h3-4,9H,5-8,10H2,1-2H3
InChIKeyRPAJHNAIDQOJGD-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.65
Rot. Bonds3

About 6,6-dimethyl-1-(3-thiophen-2-ylpropanoyl)piperidin-3-one

6,6-dimethyl-1-(3-thiophen-2-ylpropanoyl)piperidin-3-one (PubChem CID 115276306) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 6,6-dimethyl-1-(3-thiophen-2-ylpropanoyl)piperidin-3-one.

Molecular Properties

Compound Name6,6-dimethyl-1-(3-thiophen-2-ylpropanoyl)piperidin-3-one
PubChem CID115276306
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name6,6-dimethyl-1-(3-thiophen-2-ylpropanoyl)piperidin-3-one
SMILESCC1(C)CCC(=O)CN1C(=O)CCc1cccs1
InChIInChI=1S/C14H19NO2S/c1-14(2)8-7-11(16)10-15(14)13(17)6-5-12-4-3-9-18-12/h3-4,9H,5-8,10H2,1-2H3
InChIKeyRPAJHNAIDQOJGD-UHFFFAOYSA-N
XLogP2.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-6,6-dimethylpiperidin-3-one
CID 115269445
1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 115273147
6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one
CID 115276324
2-ethyl-1-(3-thiophen-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83075965
3-thiophen-2-yl-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)propan-1-one
CID 110740835
1-[2-(4-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one
CID 115269472
4-(3-thiophen-2-ylpropanoyl)-1,4-diazepan-2-one
CID 62897426
1-(4-hydroxy-4-methylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 80706917
1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110114553
1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 116569436
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 72849026
1-phenyl-4-(3-thiophen-2-ylpropanoyl)-1,4-diazepan-2-one
CID 110873874

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(3-thiophen-2-ylpropanoyl)piperidin-3-one?
The IUPAC name of 6,6-dimethyl-1-(3-thiophen-2-ylpropanoyl)piperidin-3-one (CID 115276306) is 6,6-dimethyl-1-(3-thiophen-2-ylpropanoyl)piperidin-3-one.
What is the SMILES notation for 6,6-dimethyl-1-(3-thiophen-2-ylpropanoyl)piperidin-3-one?
The canonical SMILES for 6,6-dimethyl-1-(3-thiophen-2-ylpropanoyl)piperidin-3-one is CC1(C)CCC(=O)CN1C(=O)CCc1cccs1.
What is the InChIKey of 6,6-dimethyl-1-(3-thiophen-2-ylpropanoyl)piperidin-3-one?
The InChIKey is RPAJHNAIDQOJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-14(2)8-7-11(16)10-15(14)13(17)6-5-12-4-3-9-18-12/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 6,6-dimethyl-1-(3-thiophen-2-ylpropanoyl)piperidin-3-one?
6,6-dimethyl-1-(3-thiophen-2-ylpropanoyl)piperidin-3-one has a molecular weight of 265.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(3-thiophen-2-ylpropanoyl)piperidin-3-one is sourced from PubChem (CID 115276306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).