1-(3-methylthiophene-2-carbonyl)piperidin-4-one

C11H13NO2S — CID 24696594

IUPAC1-(3-methylthiophene-2-carbonyl)piperidin-4-one
SMILESCc1ccsc1C(=O)N1CCC(=O)CC1
InChIInChI=1S/C11H13NO2S/c1-8-4-7-15-10(8)11(14)12-5-2-9(13)3-6-12/h4,7H,2-3,5-6H2,1H3
InChIKeyFSRHUPVTPOPFME-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.86
Rot. Bonds1

About 1-(3-methylthiophene-2-carbonyl)piperidin-4-one

1-(3-methylthiophene-2-carbonyl)piperidin-4-one (PubChem CID 24696594) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(3-methylthiophene-2-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-methylthiophene-2-carbonyl)piperidin-4-one
PubChem CID24696594
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name1-(3-methylthiophene-2-carbonyl)piperidin-4-one
SMILESCc1ccsc1C(=O)N1CCC(=O)CC1
InChIInChI=1S/C11H13NO2S/c1-8-4-7-15-10(8)11(14)12-5-2-9(13)3-6-12/h4,7H,2-3,5-6H2,1H3
InChIKeyFSRHUPVTPOPFME-UHFFFAOYSA-N
XLogP1.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 146083454
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470352
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980342
2-methyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanenitrile
CID 60692988
(4-methoxy-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-(3-methylthiophen-2-yl)methanone
CID 97404879
1,2-dimethyl-5-(3-methylthiophene-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one
CID 97471115
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 9239713
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 80552627
[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81427148

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophene-2-carbonyl)piperidin-4-one?
The IUPAC name of 1-(3-methylthiophene-2-carbonyl)piperidin-4-one (CID 24696594) is 1-(3-methylthiophene-2-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(3-methylthiophene-2-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(3-methylthiophene-2-carbonyl)piperidin-4-one is Cc1ccsc1C(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-(3-methylthiophene-2-carbonyl)piperidin-4-one?
The InChIKey is FSRHUPVTPOPFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-8-4-7-15-10(8)11(14)12-5-2-9(13)3-6-12/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 1-(3-methylthiophene-2-carbonyl)piperidin-4-one?
1-(3-methylthiophene-2-carbonyl)piperidin-4-one has a molecular weight of 223.30 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophene-2-carbonyl)piperidin-4-one is sourced from PubChem (CID 24696594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).