3-amino-2,6-difluoro-N-piperidin-1-ylbenzamide

C12H15F2N3O — CID 83012407

IUPAC3-amino-2,6-difluoro-N-piperidin-1-ylbenzamide
SMILESNc1ccc(F)c(C(=O)NN2CCCCC2)c1F
InChIInChI=1S/C12H15F2N3O/c13-8-4-5-9(15)11(14)10(8)12(18)16-17-6-2-1-3-7-17/h4-5H,1-3,6-7,15H2,(H,16,18)
InChIKeyGNKXHYKUVFBYTO-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.68
Rot. Bonds2

About 3-amino-2,6-difluoro-N-piperidin-1-ylbenzamide

3-amino-2,6-difluoro-N-piperidin-1-ylbenzamide (PubChem CID 83012407) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-piperidin-1-ylbenzamide
PubChem CID83012407
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name3-amino-2,6-difluoro-N-piperidin-1-ylbenzamide
SMILESNc1ccc(F)c(C(=O)NN2CCCCC2)c1F
InChIInChI=1S/C12H15F2N3O/c13-8-4-5-9(15)11(14)10(8)12(18)16-17-6-2-1-3-7-17/h4-5H,1-3,6-7,15H2,(H,16,18)
InChIKeyGNKXHYKUVFBYTO-UHFFFAOYSA-N
XLogP1.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-piperidin-1-ylbenzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-piperidin-1-ylbenzamide (CID 83012407) is 3-amino-2,6-difluoro-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-piperidin-1-ylbenzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-piperidin-1-ylbenzamide is Nc1ccc(F)c(C(=O)NN2CCCCC2)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-piperidin-1-ylbenzamide?
The InChIKey is GNKXHYKUVFBYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c13-8-4-5-9(15)11(14)10(8)12(18)16-17-6-2-1-3-7-17/h4-5H,1-3,6-7,15H2,(H,16,18).
What are the key properties of 3-amino-2,6-difluoro-N-piperidin-1-ylbenzamide?
3-amino-2,6-difluoro-N-piperidin-1-ylbenzamide has a molecular weight of 255.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 83012407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).