3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one

C15H19ClN2O3S — CID 3314837

IUPAC3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one
SMILESCCC1CN(C2CCN(C(=O)c3sccc3Cl)CC2)C(=O)O1
InChIInChI=1S/C15H19ClN2O3S/c1-2-11-9-18(15(20)21-11)10-3-6-17(7-4-10)14(19)13-12(16)5-8-22-13/h5,8,10-11H,2-4,6-7,9H2,1H3
InChIKeyIVABHYYIGPJABQ-UHFFFAOYSA-N
MW342.85 g/mol
LogP3.24
Rot. Bonds3

About 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one

3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one (PubChem CID 3314837) has the molecular formula C15H19ClN2O3S and a molecular weight of 342.85 g/mol. Its IUPAC name is 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one
PubChem CID3314837
Molecular FormulaC15H19ClN2O3S
Molecular Weight342.85 g/mol
Exact Mass342.08
IUPAC Name3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one
SMILESCCC1CN(C2CCN(C(=O)c3sccc3Cl)CC2)C(=O)O1
InChIInChI=1S/C15H19ClN2O3S/c1-2-11-9-18(15(20)21-11)10-3-6-17(7-4-10)14(19)13-12(16)5-8-22-13/h5,8,10-11H,2-4,6-7,9H2,1H3
InChIKeyIVABHYYIGPJABQ-UHFFFAOYSA-N
XLogP3.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one (CID 3314837) is 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one is CCC1CN(C2CCN(C(=O)c3sccc3Cl)CC2)C(=O)O1.
What is the InChIKey of 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one?
The InChIKey is IVABHYYIGPJABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3S/c1-2-11-9-18(15(20)21-11)10-3-6-17(7-4-10)14(19)13-12(16)5-8-22-13/h5,8,10-11H,2-4,6-7,9H2,1H3.
What are the key properties of 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one?
3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one has a molecular weight of 342.85 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3314837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).