1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one

C14H17N3O2 — CID 19864759

IUPAC1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one
SMILESCC1(C)C=C(N2CCNCC2=O)c2cnccc2O1
InChIInChI=1S/C14H17N3O2/c1-14(2)7-11(17-6-5-16-9-13(17)18)10-8-15-4-3-12(10)19-14/h3-4,7-8,16H,5-6,9H2,1-2H3
InChIKeyGFLYTOLFFJNGLE-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.03
Rot. Bonds1

About 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one

1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one (PubChem CID 19864759) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one
PubChem CID19864759
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one
SMILESCC1(C)C=C(N2CCNCC2=O)c2cnccc2O1
InChIInChI=1S/C14H17N3O2/c1-14(2)7-11(17-6-5-16-9-13(17)18)10-8-15-4-3-12(10)19-14/h3-4,7-8,16H,5-6,9H2,1-2H3
InChIKeyGFLYTOLFFJNGLE-UHFFFAOYSA-N
XLogP1.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one?
The IUPAC name of 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one (CID 19864759) is 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one?
The canonical SMILES for 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one is CC1(C)C=C(N2CCNCC2=O)c2cnccc2O1.
What is the InChIKey of 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one?
The InChIKey is GFLYTOLFFJNGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2)7-11(17-6-5-16-9-13(17)18)10-8-15-4-3-12(10)19-14/h3-4,7-8,16H,5-6,9H2,1-2H3.
What are the key properties of 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one?
1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one has a molecular weight of 259.31 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperazin-2-one is sourced from PubChem (CID 19864759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).