2-oxo-4-piperidin-1-yl-6-thiophen-2-ylpyran-3-carbonitrile

C15H14N2O2S — CID 11449042

IUPAC2-oxo-4-piperidin-1-yl-6-thiophen-2-ylpyran-3-carbonitrile
SMILESN#Cc1c(N2CCCCC2)cc(-c2cccs2)oc1=O
InChIInChI=1S/C15H14N2O2S/c16-10-11-12(17-6-2-1-3-7-17)9-13(19-15(11)18)14-5-4-8-20-14/h4-5,8-9H,1-3,6-7H2
InChIKeyLDEVGGJCKMHINT-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.23
Rot. Bonds2

About 2-oxo-4-piperidin-1-yl-6-thiophen-2-ylpyran-3-carbonitrile

2-oxo-4-piperidin-1-yl-6-thiophen-2-ylpyran-3-carbonitrile (PubChem CID 11449042) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-oxo-4-piperidin-1-yl-6-thiophen-2-ylpyran-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-piperidin-1-yl-6-thiophen-2-ylpyran-3-carbonitrile
PubChem CID11449042
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-oxo-4-piperidin-1-yl-6-thiophen-2-ylpyran-3-carbonitrile
SMILESN#Cc1c(N2CCCCC2)cc(-c2cccs2)oc1=O
InChIInChI=1S/C15H14N2O2S/c16-10-11-12(17-6-2-1-3-7-17)9-13(19-15(11)18)14-5-4-8-20-14/h4-5,8-9H,1-3,6-7H2
InChIKeyLDEVGGJCKMHINT-UHFFFAOYSA-N
XLogP3.23
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-piperidin-1-yl-6-thiophen-2-ylpyran-3-carbonitrile?
The IUPAC name of 2-oxo-4-piperidin-1-yl-6-thiophen-2-ylpyran-3-carbonitrile (CID 11449042) is 2-oxo-4-piperidin-1-yl-6-thiophen-2-ylpyran-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-piperidin-1-yl-6-thiophen-2-ylpyran-3-carbonitrile?
The canonical SMILES for 2-oxo-4-piperidin-1-yl-6-thiophen-2-ylpyran-3-carbonitrile is N#Cc1c(N2CCCCC2)cc(-c2cccs2)oc1=O.
What is the InChIKey of 2-oxo-4-piperidin-1-yl-6-thiophen-2-ylpyran-3-carbonitrile?
The InChIKey is LDEVGGJCKMHINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c16-10-11-12(17-6-2-1-3-7-17)9-13(19-15(11)18)14-5-4-8-20-14/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 2-oxo-4-piperidin-1-yl-6-thiophen-2-ylpyran-3-carbonitrile?
2-oxo-4-piperidin-1-yl-6-thiophen-2-ylpyran-3-carbonitrile has a molecular weight of 286.36 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-piperidin-1-yl-6-thiophen-2-ylpyran-3-carbonitrile is sourced from PubChem (CID 11449042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).