1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one

C12H15NO2S — CID 60656667

IUPAC1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one
SMILESCc1cc(C(=O)N2CCC(=O)CC2)sc1C
InChIInChI=1S/C12H15NO2S/c1-8-7-11(16-9(8)2)12(15)13-5-3-10(14)4-6-13/h7H,3-6H2,1-2H3
InChIKeyRHMXUDKQBDNUQE-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.17
Rot. Bonds1

About 1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one

1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one (PubChem CID 60656667) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one
PubChem CID60656667
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one
SMILESCc1cc(C(=O)N2CCC(=O)CC2)sc1C
InChIInChI=1S/C12H15NO2S/c1-8-7-11(16-9(8)2)12(15)13-5-3-10(14)4-6-13/h7H,3-6H2,1-2H3
InChIKeyRHMXUDKQBDNUQE-UHFFFAOYSA-N
XLogP2.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one?
The IUPAC name of 1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one (CID 60656667) is 1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one is Cc1cc(C(=O)N2CCC(=O)CC2)sc1C.
What is the InChIKey of 1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one?
The InChIKey is RHMXUDKQBDNUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-8-7-11(16-9(8)2)12(15)13-5-3-10(14)4-6-13/h7H,3-6H2,1-2H3.
What are the key properties of 1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one?
1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one has a molecular weight of 237.32 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one is sourced from PubChem (CID 60656667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).