6-oxo-N-(3-piperazin-1-ylpropyl)pyran-3-carboxamide

C13H19N3O3 — CID 43443269

IUPAC6-oxo-N-(3-piperazin-1-ylpropyl)pyran-3-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1ccc(=O)oc1
InChIInChI=1S/C13H19N3O3/c17-12-3-2-11(10-19-12)13(18)15-4-1-7-16-8-5-14-6-9-16/h2-3,10,14H,1,4-9H2,(H,15,18)
InChIKeyFLDVJVADVYKCNO-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.34
Rot. Bonds5

About 6-oxo-N-(3-piperazin-1-ylpropyl)pyran-3-carboxamide

6-oxo-N-(3-piperazin-1-ylpropyl)pyran-3-carboxamide (PubChem CID 43443269) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-oxo-N-(3-piperazin-1-ylpropyl)pyran-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3-piperazin-1-ylpropyl)pyran-3-carboxamide
PubChem CID43443269
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-oxo-N-(3-piperazin-1-ylpropyl)pyran-3-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1ccc(=O)oc1
InChIInChI=1S/C13H19N3O3/c17-12-3-2-11(10-19-12)13(18)15-4-1-7-16-8-5-14-6-9-16/h2-3,10,14H,1,4-9H2,(H,15,18)
InChIKeyFLDVJVADVYKCNO-UHFFFAOYSA-N
XLogP-0.34
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3-piperazin-1-ylpropyl)pyran-3-carboxamide?
The IUPAC name of 6-oxo-N-(3-piperazin-1-ylpropyl)pyran-3-carboxamide (CID 43443269) is 6-oxo-N-(3-piperazin-1-ylpropyl)pyran-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3-piperazin-1-ylpropyl)pyran-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3-piperazin-1-ylpropyl)pyran-3-carboxamide is O=C(NCCCN1CCNCC1)c1ccc(=O)oc1.
What is the InChIKey of 6-oxo-N-(3-piperazin-1-ylpropyl)pyran-3-carboxamide?
The InChIKey is FLDVJVADVYKCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-12-3-2-11(10-19-12)13(18)15-4-1-7-16-8-5-14-6-9-16/h2-3,10,14H,1,4-9H2,(H,15,18).
What are the key properties of 6-oxo-N-(3-piperazin-1-ylpropyl)pyran-3-carboxamide?
6-oxo-N-(3-piperazin-1-ylpropyl)pyran-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3-piperazin-1-ylpropyl)pyran-3-carboxamide is sourced from PubChem (CID 43443269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).