3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide

C9H15F3N2O — CID 119424701

IUPAC3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide
SMILESCC(C(=O)NC1CCCNC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-6(9(10,11)12)8(15)14-7-3-2-4-13-5-7/h6-7,13H,2-5H2,1H3,(H,14,15)
InChIKeyIKZKTIZDWXHBKK-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.05
Rot. Bonds2

About 3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide

3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide (PubChem CID 119424701) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide
PubChem CID119424701
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide
SMILESCC(C(=O)NC1CCCNC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-6(9(10,11)12)8(15)14-7-3-2-4-13-5-7/h6-7,13H,2-5H2,1H3,(H,14,15)
InChIKeyIKZKTIZDWXHBKK-UHFFFAOYSA-N
XLogP1.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide?
The IUPAC name of 3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide (CID 119424701) is 3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide is CC(C(=O)NC1CCCNC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide?
The InChIKey is IKZKTIZDWXHBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-6(9(10,11)12)8(15)14-7-3-2-4-13-5-7/h6-7,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide?
3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide has a molecular weight of 224.23 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide is sourced from PubChem (CID 119424701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).