6-oxo-N-(2-piperazin-1-ylethyl)pyran-3-carboxamide

C12H17N3O3 — CID 43600200

IUPAC6-oxo-N-(2-piperazin-1-ylethyl)pyran-3-carboxamide
SMILESO=C(NCCN1CCNCC1)c1ccc(=O)oc1
InChIInChI=1S/C12H17N3O3/c16-11-2-1-10(9-18-11)12(17)14-5-8-15-6-3-13-4-7-15/h1-2,9,13H,3-8H2,(H,14,17)
InChIKeySKOURQODVVTYIO-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.73
Rot. Bonds4

About 6-oxo-N-(2-piperazin-1-ylethyl)pyran-3-carboxamide

6-oxo-N-(2-piperazin-1-ylethyl)pyran-3-carboxamide (PubChem CID 43600200) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-oxo-N-(2-piperazin-1-ylethyl)pyran-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(2-piperazin-1-ylethyl)pyran-3-carboxamide
PubChem CID43600200
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name6-oxo-N-(2-piperazin-1-ylethyl)pyran-3-carboxamide
SMILESO=C(NCCN1CCNCC1)c1ccc(=O)oc1
InChIInChI=1S/C12H17N3O3/c16-11-2-1-10(9-18-11)12(17)14-5-8-15-6-3-13-4-7-15/h1-2,9,13H,3-8H2,(H,14,17)
InChIKeySKOURQODVVTYIO-UHFFFAOYSA-N
XLogP-0.73
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2-piperazin-1-ylethyl)pyran-3-carboxamide?
The IUPAC name of 6-oxo-N-(2-piperazin-1-ylethyl)pyran-3-carboxamide (CID 43600200) is 6-oxo-N-(2-piperazin-1-ylethyl)pyran-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(2-piperazin-1-ylethyl)pyran-3-carboxamide?
The canonical SMILES for 6-oxo-N-(2-piperazin-1-ylethyl)pyran-3-carboxamide is O=C(NCCN1CCNCC1)c1ccc(=O)oc1.
What is the InChIKey of 6-oxo-N-(2-piperazin-1-ylethyl)pyran-3-carboxamide?
The InChIKey is SKOURQODVVTYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-11-2-1-10(9-18-11)12(17)14-5-8-15-6-3-13-4-7-15/h1-2,9,13H,3-8H2,(H,14,17).
What are the key properties of 6-oxo-N-(2-piperazin-1-ylethyl)pyran-3-carboxamide?
6-oxo-N-(2-piperazin-1-ylethyl)pyran-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2-piperazin-1-ylethyl)pyran-3-carboxamide is sourced from PubChem (CID 43600200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).