4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide

C11H19F2N3O — CID 67187947

IUPAC4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide
SMILESNC(=O)C1(N2CCC(F)(F)CC2)CCNCC1
InChIInChI=1S/C11H19F2N3O/c12-11(13)3-7-16(8-4-11)10(9(14)17)1-5-15-6-2-10/h15H,1-8H2,(H2,14,17)
InChIKeyNJFFSXLJSYUBFC-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.32
Rot. Bonds2

About 4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide

4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide (PubChem CID 67187947) has the molecular formula C11H19F2N3O and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide
PubChem CID67187947
Molecular FormulaC11H19F2N3O
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide
SMILESNC(=O)C1(N2CCC(F)(F)CC2)CCNCC1
InChIInChI=1S/C11H19F2N3O/c12-11(13)3-7-16(8-4-11)10(9(14)17)1-5-15-6-2-10/h15H,1-8H2,(H2,14,17)
InChIKeyNJFFSXLJSYUBFC-UHFFFAOYSA-N
XLogP0.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide (CID 67187947) is 4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide is NC(=O)C1(N2CCC(F)(F)CC2)CCNCC1.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide?
The InChIKey is NJFFSXLJSYUBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O/c12-11(13)3-7-16(8-4-11)10(9(14)17)1-5-15-6-2-10/h15H,1-8H2,(H2,14,17).
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide?
4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 67187947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).