6-oxo-N-(4-piperidin-1-ylphenyl)pyran-3-carboxamide

C17H18N2O3 — CID 4791988

IUPAC6-oxo-N-(4-piperidin-1-ylphenyl)pyran-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(=O)oc1
InChIInChI=1S/C17H18N2O3/c20-16-9-4-13(12-22-16)17(21)18-14-5-7-15(8-6-14)19-10-2-1-3-11-19/h4-9,12H,1-3,10-11H2,(H,18,21)
InChIKeyDNIZVVDKEPDTCK-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.88
Rot. Bonds3

About 6-oxo-N-(4-piperidin-1-ylphenyl)pyran-3-carboxamide

6-oxo-N-(4-piperidin-1-ylphenyl)pyran-3-carboxamide (PubChem CID 4791988) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 6-oxo-N-(4-piperidin-1-ylphenyl)pyran-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(4-piperidin-1-ylphenyl)pyran-3-carboxamide
PubChem CID4791988
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name6-oxo-N-(4-piperidin-1-ylphenyl)pyran-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(=O)oc1
InChIInChI=1S/C17H18N2O3/c20-16-9-4-13(12-22-16)17(21)18-14-5-7-15(8-6-14)19-10-2-1-3-11-19/h4-9,12H,1-3,10-11H2,(H,18,21)
InChIKeyDNIZVVDKEPDTCK-UHFFFAOYSA-N
XLogP2.88
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(4-piperidin-1-ylphenyl)pyran-3-carboxamide?
The IUPAC name of 6-oxo-N-(4-piperidin-1-ylphenyl)pyran-3-carboxamide (CID 4791988) is 6-oxo-N-(4-piperidin-1-ylphenyl)pyran-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(4-piperidin-1-ylphenyl)pyran-3-carboxamide?
The canonical SMILES for 6-oxo-N-(4-piperidin-1-ylphenyl)pyran-3-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(=O)oc1.
What is the InChIKey of 6-oxo-N-(4-piperidin-1-ylphenyl)pyran-3-carboxamide?
The InChIKey is DNIZVVDKEPDTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16-9-4-13(12-22-16)17(21)18-14-5-7-15(8-6-14)19-10-2-1-3-11-19/h4-9,12H,1-3,10-11H2,(H,18,21).
What are the key properties of 6-oxo-N-(4-piperidin-1-ylphenyl)pyran-3-carboxamide?
6-oxo-N-(4-piperidin-1-ylphenyl)pyran-3-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(4-piperidin-1-ylphenyl)pyran-3-carboxamide is sourced from PubChem (CID 4791988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).