1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-one

C10H9Cl2NO2S — CID 103604589

IUPAC1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C10H9Cl2NO2S/c11-8-5-7(9(12)16-8)10(15)13-3-1-6(14)2-4-13/h5H,1-4H2
InChIKeyIIMIDOZVFWRADM-UHFFFAOYSA-N
MW278.16 g/mol
LogP2.86
Rot. Bonds1

About 1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-one

1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-one (PubChem CID 103604589) has the molecular formula C10H9Cl2NO2S and a molecular weight of 278.16 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-one
PubChem CID103604589
Molecular FormulaC10H9Cl2NO2S
Molecular Weight278.16 g/mol
Exact Mass276.97
IUPAC Name1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C10H9Cl2NO2S/c11-8-5-7(9(12)16-8)10(15)13-3-1-6(14)2-4-13/h5H,1-4H2
InChIKeyIIMIDOZVFWRADM-UHFFFAOYSA-N
XLogP2.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.16
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-one?
The IUPAC name of 1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-one (CID 103604589) is 1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-one is O=C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-one?
The InChIKey is IIMIDOZVFWRADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2S/c11-8-5-7(9(12)16-8)10(15)13-3-1-6(14)2-4-13/h5H,1-4H2.
What are the key properties of 1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-one?
1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-one has a molecular weight of 278.16 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-one is sourced from PubChem (CID 103604589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).