2-(2-piperidin-3-ylethoxy)-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N2O2 — CID 62357185

IUPAC2-(2-piperidin-3-ylethoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COCCC1CCCNC1)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-16-10(17)7-18-5-3-9-2-1-4-15-6-9/h9,15H,1-8H2,(H,16,17)
InChIKeyVQVXCSDCOGAZLZ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.07
Rot. Bonds6

About 2-(2-piperidin-3-ylethoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-piperidin-3-ylethoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62357185) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-(2-piperidin-3-ylethoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-piperidin-3-ylethoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62357185
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-(2-piperidin-3-ylethoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COCCC1CCCNC1)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-16-10(17)7-18-5-3-9-2-1-4-15-6-9/h9,15H,1-8H2,(H,16,17)
InChIKeyVQVXCSDCOGAZLZ-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.07
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 2-(2-piperidin-3-ylethoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-piperidin-3-ylethoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 62357185) is 2-(2-piperidin-3-ylethoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-piperidin-3-ylethoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-piperidin-3-ylethoxy)-N-(2,2,2-trifluoroethyl)acetamide is O=C(COCCC1CCCNC1)NCC(F)(F)F.
What is the InChIKey of 2-(2-piperidin-3-ylethoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VQVXCSDCOGAZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)8-16-10(17)7-18-5-3-9-2-1-4-15-6-9/h9,15H,1-8H2,(H,16,17).
What are the key properties of 2-(2-piperidin-3-ylethoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-piperidin-3-ylethoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-3-ylethoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62357185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).