3,3,3-trifluoro-N-(5-methylpiperidin-3-yl)propanamide

C9H15F3N2O — CID 107585044

IUPAC3,3,3-trifluoro-N-(5-methylpiperidin-3-yl)propanamide
SMILESCC1CNCC(NC(=O)CC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c1-6-2-7(5-13-4-6)14-8(15)3-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,14,15)
InChIKeyWNWCYEIKQCWLSN-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.05
Rot. Bonds2

About 3,3,3-trifluoro-N-(5-methylpiperidin-3-yl)propanamide

3,3,3-trifluoro-N-(5-methylpiperidin-3-yl)propanamide (PubChem CID 107585044) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(5-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(5-methylpiperidin-3-yl)propanamide
PubChem CID107585044
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name3,3,3-trifluoro-N-(5-methylpiperidin-3-yl)propanamide
SMILESCC1CNCC(NC(=O)CC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c1-6-2-7(5-13-4-6)14-8(15)3-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,14,15)
InChIKeyWNWCYEIKQCWLSN-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-N-(5-methylpiperidin-3-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(5-methylpiperidin-3-yl)propanamide (CID 107585044) is 3,3,3-trifluoro-N-(5-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(5-methylpiperidin-3-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(5-methylpiperidin-3-yl)propanamide is CC1CNCC(NC(=O)CC(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-N-(5-methylpiperidin-3-yl)propanamide?
The InChIKey is WNWCYEIKQCWLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-6-2-7(5-13-4-6)14-8(15)3-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 3,3,3-trifluoro-N-(5-methylpiperidin-3-yl)propanamide?
3,3,3-trifluoro-N-(5-methylpiperidin-3-yl)propanamide 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-N-(5-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 107585044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).