6-(4-chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile

C17H15ClN2O2 — CID 11045270

IUPAC6-(4-chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
SMILESN#Cc1c(N2CCCCC2)cc(-c2ccc(Cl)cc2)oc1=O
InChIInChI=1S/C17H15ClN2O2/c18-13-6-4-12(5-7-13)16-10-15(14(11-19)17(21)22-16)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9H2
InChIKeyITENFASQOQYRFM-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.82
Rot. Bonds2

About 6-(4-chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile

6-(4-chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile (PubChem CID 11045270) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
PubChem CID11045270
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name6-(4-chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
SMILESN#Cc1c(N2CCCCC2)cc(-c2ccc(Cl)cc2)oc1=O
InChIInChI=1S/C17H15ClN2O2/c18-13-6-4-12(5-7-13)16-10-15(14(11-19)17(21)22-16)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9H2
InChIKeyITENFASQOQYRFM-UHFFFAOYSA-N
XLogP3.82
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile (CID 11045270) is 6-(4-chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile is N#Cc1c(N2CCCCC2)cc(-c2ccc(Cl)cc2)oc1=O.
What is the InChIKey of 6-(4-chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile?
The InChIKey is ITENFASQOQYRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-13-6-4-12(5-7-13)16-10-15(14(11-19)17(21)22-16)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9H2.
What are the key properties of 6-(4-chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile?
6-(4-chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile has a molecular weight of 314.77 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile is sourced from PubChem (CID 11045270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).