1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-3-carboxamide

C15H19FN2O3 — CID 47012413

IUPAC1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cc(F)cc3c2OCOC3)C1
InChIInChI=1S/C15H19FN2O3/c16-13-4-11(14-12(5-13)8-20-9-21-14)7-18-3-1-2-10(6-18)15(17)19/h4-5,10H,1-3,6-9H2,(H2,17,19)
InChIKeyUIZPXVSAPLJTCC-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.39
Rot. Bonds3

About 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-3-carboxamide

1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-3-carboxamide (PubChem CID 47012413) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-3-carboxamide
PubChem CID47012413
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cc(F)cc3c2OCOC3)C1
InChIInChI=1S/C15H19FN2O3/c16-13-4-11(14-12(5-13)8-20-9-21-14)7-18-3-1-2-10(6-18)15(17)19/h4-5,10H,1-3,6-9H2,(H2,17,19)
InChIKeyUIZPXVSAPLJTCC-UHFFFAOYSA-N
XLogP1.39
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-3-carboxamide (CID 47012413) is 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2cc(F)cc3c2OCOC3)C1.
What is the InChIKey of 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-3-carboxamide?
The InChIKey is UIZPXVSAPLJTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-13-4-11(14-12(5-13)8-20-9-21-14)7-18-3-1-2-10(6-18)15(17)19/h4-5,10H,1-3,6-9H2,(H2,17,19).
What are the key properties of 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-3-carboxamide?
1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-3-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 47012413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).