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

C15H18N2O2 — CID 14743491

IUPAC1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperidin-2-one
SMILESCC1(C)C=C(N2CCCCC2=O)c2cnccc2O1
InChIInChI=1S/C15H18N2O2/c1-15(2)9-12(17-8-4-3-5-14(17)18)11-10-16-7-6-13(11)19-15/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyVQADFKFDXOAPQV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.61
Rot. Bonds1

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

1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperidin-2-one (PubChem CID 14743491) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperidin-2-one
PubChem CID14743491
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperidin-2-one
SMILESCC1(C)C=C(N2CCCCC2=O)c2cnccc2O1
InChIInChI=1S/C15H18N2O2/c1-15(2)9-12(17-8-4-3-5-14(17)18)11-10-16-7-6-13(11)19-15/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyVQADFKFDXOAPQV-UHFFFAOYSA-N
XLogP2.61
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperidin-2-one?
The IUPAC name of 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperidin-2-one (CID 14743491) is 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperidin-2-one is CC1(C)C=C(N2CCCCC2=O)c2cnccc2O1.
What is the InChIKey of 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperidin-2-one?
The InChIKey is VQADFKFDXOAPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2)9-12(17-8-4-3-5-14(17)18)11-10-16-7-6-13(11)19-15/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperidin-2-one?
1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperidin-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)piperidin-2-one is sourced from PubChem (CID 14743491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).