3-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide

C11H19F3N2O2 — CID 82810734

IUPAC3-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide
SMILESCCOCCC(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C11H19F3N2O2/c1-2-18-6-5-10(17)16-8-3-4-9(15-7-8)11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyADCTUTYTZKYRJJ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.21
Rot. Bonds5

About 3-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide

3-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide (PubChem CID 82810734) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide
PubChem CID82810734
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name3-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide
SMILESCCOCCC(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C11H19F3N2O2/c1-2-18-6-5-10(17)16-8-3-4-9(15-7-8)11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyADCTUTYTZKYRJJ-UHFFFAOYSA-N
XLogP1.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide?
The IUPAC name of 3-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide (CID 82810734) is 3-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide is CCOCCC(=O)NC1CCC(C(F)(F)F)NC1.
What is the InChIKey of 3-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide?
The InChIKey is ADCTUTYTZKYRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-18-6-5-10(17)16-8-3-4-9(15-7-8)11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 3-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide?
3-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide has a molecular weight of 268.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 82810734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).