3-methyl-1-(4-thiophen-2-ylbutanoyl)piperidin-4-one

C14H19NO2S — CID 114499910

IUPAC3-methyl-1-(4-thiophen-2-ylbutanoyl)piperidin-4-one
SMILESCC1CN(C(=O)CCCc2cccs2)CCC1=O
InChIInChI=1S/C14H19NO2S/c1-11-10-15(8-7-13(11)16)14(17)6-2-4-12-5-3-9-18-12/h3,5,9,11H,2,4,6-8,10H2,1H3
InChIKeyDOJKTSJJVZLJNQ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.51
Rot. Bonds4

About 3-methyl-1-(4-thiophen-2-ylbutanoyl)piperidin-4-one

3-methyl-1-(4-thiophen-2-ylbutanoyl)piperidin-4-one (PubChem CID 114499910) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-methyl-1-(4-thiophen-2-ylbutanoyl)piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(4-thiophen-2-ylbutanoyl)piperidin-4-one
PubChem CID114499910
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name3-methyl-1-(4-thiophen-2-ylbutanoyl)piperidin-4-one
SMILESCC1CN(C(=O)CCCc2cccs2)CCC1=O
InChIInChI=1S/C14H19NO2S/c1-11-10-15(8-7-13(11)16)14(17)6-2-4-12-5-3-9-18-12/h3,5,9,11H,2,4,6-8,10H2,1H3
InChIKeyDOJKTSJJVZLJNQ-UHFFFAOYSA-N
XLogP2.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylmorpholin-4-yl)-4-thiophen-2-ylbutan-1-one
CID 47016281
1-(3-chloro-4-methylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 102961373
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 95355874
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 113268887
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 72849026
1-(4-amino-3-ethylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 81457987
(3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one
CID 129345042
1-(4-hydroxy-4-methylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 80706917
(4aS,8aR)-1-propyl-6-(4-thiophen-2-ylbutanoyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56898397
(3S,4S)-4-methyl-1-(6-thiophen-2-ylhexanoyl)pyrrolidine-3-carboxylic acid
CID 120952295
1-[3-(aminomethyl)pyrrolidin-1-yl]-6-thiophen-2-ylhexan-1-one
CID 119484105
1-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 156603833

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-thiophen-2-ylbutanoyl)piperidin-4-one?
The IUPAC name of 3-methyl-1-(4-thiophen-2-ylbutanoyl)piperidin-4-one (CID 114499910) is 3-methyl-1-(4-thiophen-2-ylbutanoyl)piperidin-4-one.
What is the SMILES notation for 3-methyl-1-(4-thiophen-2-ylbutanoyl)piperidin-4-one?
The canonical SMILES for 3-methyl-1-(4-thiophen-2-ylbutanoyl)piperidin-4-one is CC1CN(C(=O)CCCc2cccs2)CCC1=O.
What is the InChIKey of 3-methyl-1-(4-thiophen-2-ylbutanoyl)piperidin-4-one?
The InChIKey is DOJKTSJJVZLJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-11-10-15(8-7-13(11)16)14(17)6-2-4-12-5-3-9-18-12/h3,5,9,11H,2,4,6-8,10H2,1H3.
What are the key properties of 3-methyl-1-(4-thiophen-2-ylbutanoyl)piperidin-4-one?
3-methyl-1-(4-thiophen-2-ylbutanoyl)piperidin-4-one has a molecular weight of 265.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-thiophen-2-ylbutanoyl)piperidin-4-one is sourced from PubChem (CID 114499910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).