4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one

C17H19ClN2O3S — CID 86265651

IUPAC4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)c3ccc(Cl)s3)CC2)cc(=O)n1C
InChIInChI=1S/C17H19ClN2O3S/c1-11-9-13(10-16(21)19(11)2)23-12-5-7-20(8-6-12)17(22)14-3-4-15(18)24-14/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyWPSGHRQLFHOGOO-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.09
Rot. Bonds3

About 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one

4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one (PubChem CID 86265651) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
PubChem CID86265651
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)c3ccc(Cl)s3)CC2)cc(=O)n1C
InChIInChI=1S/C17H19ClN2O3S/c1-11-9-13(10-16(21)19(11)2)23-12-5-7-20(8-6-12)17(22)14-3-4-15(18)24-14/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyWPSGHRQLFHOGOO-UHFFFAOYSA-N
XLogP3.09
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-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 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one (CID 86265651) is 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one is Cc1cc(OC2CCN(C(=O)c3ccc(Cl)s3)CC2)cc(=O)n1C.
What is the InChIKey of 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The InChIKey is WPSGHRQLFHOGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-11-9-13(10-16(21)19(11)2)23-12-5-7-20(8-6-12)17(22)14-3-4-15(18)24-14/h3-4,9-10,12H,5-8H2,1-2H3.
What are the key properties of 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one has a molecular weight of 366.87 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 86265651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).