4,4-difluoropiperidine-3-carboxamide

C6H10F2N2O — CID 130734451

IUPAC4,4-difluoropiperidine-3-carboxamide
SMILESNC(=O)C1CNCCC1(F)F
InChIInChI=1S/C6H10F2N2O/c7-6(8)1-2-10-3-4(6)5(9)11/h4,10H,1-3H2,(H2,9,11)
InChIKeyXKRZUPGJVGZZDG-UHFFFAOYSA-N
MW164.15 g/mol
LogP-0.28
Rot. Bonds1

About 4,4-difluoropiperidine-3-carboxamide

4,4-difluoropiperidine-3-carboxamide (PubChem CID 130734451) has the molecular formula C6H10F2N2O and a molecular weight of 164.15 g/mol. Its IUPAC name is 4,4-difluoropiperidine-3-carboxamide.

Molecular Properties

Compound Name4,4-difluoropiperidine-3-carboxamide
PubChem CID130734451
Molecular FormulaC6H10F2N2O
Molecular Weight164.15 g/mol
Exact Mass164.08
IUPAC Name4,4-difluoropiperidine-3-carboxamide
SMILESNC(=O)C1CNCCC1(F)F
InChIInChI=1S/C6H10F2N2O/c7-6(8)1-2-10-3-4(6)5(9)11/h4,10H,1-3H2,(H2,9,11)
InChIKeyXKRZUPGJVGZZDG-UHFFFAOYSA-N
XLogP-0.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidine-3-carboxamide?
The IUPAC name of 4,4-difluoropiperidine-3-carboxamide (CID 130734451) is 4,4-difluoropiperidine-3-carboxamide.
What is the SMILES notation for 4,4-difluoropiperidine-3-carboxamide?
The canonical SMILES for 4,4-difluoropiperidine-3-carboxamide is NC(=O)C1CNCCC1(F)F.
What is the InChIKey of 4,4-difluoropiperidine-3-carboxamide?
The InChIKey is XKRZUPGJVGZZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O/c7-6(8)1-2-10-3-4(6)5(9)11/h4,10H,1-3H2,(H2,9,11).
What are the key properties of 4,4-difluoropiperidine-3-carboxamide?
4,4-difluoropiperidine-3-carboxamide has a molecular weight of 164.15 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropiperidine-3-carboxamide is sourced from PubChem (CID 130734451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).