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

C9H15F3N2O — CID 60807380

IUPAC3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide
SMILESCN(C(=O)CC(F)(F)F)C1CCCNC1
InChIInChI=1S/C9H15F3N2O/c1-14(7-3-2-4-13-6-7)8(15)5-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyVEMKOMHVYRUGKD-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.15
Rot. Bonds2

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

3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide (PubChem CID 60807380) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide
PubChem CID60807380
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide
SMILESCN(C(=O)CC(F)(F)F)C1CCCNC1
InChIInChI=1S/C9H15F3N2O/c1-14(7-3-2-4-13-6-7)8(15)5-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyVEMKOMHVYRUGKD-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide (CID 60807380) is 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide is CN(C(=O)CC(F)(F)F)C1CCCNC1.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide?
The InChIKey is VEMKOMHVYRUGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-14(7-3-2-4-13-6-7)8(15)5-9(10,11)12/h7,13H,2-6H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide?
3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide has a molecular weight of 224.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide is sourced from PubChem (CID 60807380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).