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

C17H14Cl2N2O2 — CID 164665751

IUPAC6-(2,4-dichlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
SMILESN#Cc1c(N2CCCCC2)cc(-c2ccc(Cl)cc2Cl)oc1=O
InChIInChI=1S/C17H14Cl2N2O2/c18-11-4-5-12(14(19)8-11)16-9-15(13(10-20)17(22)23-16)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7H2
InChIKeyDNSCIRKTYFVPDR-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.48
Rot. Bonds2

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

6-(2,4-dichlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile (PubChem CID 164665751) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
PubChem CID164665751
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name6-(2,4-dichlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
SMILESN#Cc1c(N2CCCCC2)cc(-c2ccc(Cl)cc2Cl)oc1=O
InChIInChI=1S/C17H14Cl2N2O2/c18-11-4-5-12(14(19)8-11)16-9-15(13(10-20)17(22)23-16)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7H2
InChIKeyDNSCIRKTYFVPDR-UHFFFAOYSA-N
XLogP4.48
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile?
The IUPAC name of 6-(2,4-dichlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile (CID 164665751) is 6-(2,4-dichlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile?
The canonical SMILES for 6-(2,4-dichlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile is N#Cc1c(N2CCCCC2)cc(-c2ccc(Cl)cc2Cl)oc1=O.
What is the InChIKey of 6-(2,4-dichlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile?
The InChIKey is DNSCIRKTYFVPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c18-11-4-5-12(14(19)8-11)16-9-15(13(10-20)17(22)23-16)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 6-(2,4-dichlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile?
6-(2,4-dichlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile has a molecular weight of 349.22 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile is sourced from PubChem (CID 164665751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).