N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoropropanamide

C10H14F3N3O — CID 54904453

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoropropanamide
SMILESCN1CCC(C#N)(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H14F3N3O/c1-16-4-2-9(7-14,3-5-16)15-8(17)6-10(11,12)13/h2-6H2,1H3,(H,15,17)
InChIKeyYACPUJRUOCJLLE-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.04
Rot. Bonds2

About N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoropropanamide

N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoropropanamide (PubChem CID 54904453) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoropropanamide
PubChem CID54904453
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoropropanamide
SMILESCN1CCC(C#N)(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H14F3N3O/c1-16-4-2-9(7-14,3-5-16)15-8(17)6-10(11,12)13/h2-6H2,1H3,(H,15,17)
InChIKeyYACPUJRUOCJLLE-UHFFFAOYSA-N
XLogP1.04
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoropropanamide (CID 54904453) is N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoropropanamide is CN1CCC(C#N)(NC(=O)CC(F)(F)F)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoropropanamide?
The InChIKey is YACPUJRUOCJLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-16-4-2-9(7-14,3-5-16)15-8(17)6-10(11,12)13/h2-6H2,1H3,(H,15,17).
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoropropanamide?
N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoropropanamide has a molecular weight of 249.24 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 54904453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).