2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide

C16H22F3N3O — CID 72884358

IUPAC2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide
SMILESCCN1CCC(CC(=O)NC(c2cccnc2)C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O/c1-2-22-8-5-12(6-9-22)10-14(23)21-15(16(17,18)19)13-4-3-7-20-11-13/h3-4,7,11-12,15H,2,5-6,8-10H2,1H3,(H,21,23)
InChIKeyZZMZYISBELWYCJ-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.92
Rot. Bonds5

About 2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide

2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide (PubChem CID 72884358) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide
PubChem CID72884358
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide
SMILESCCN1CCC(CC(=O)NC(c2cccnc2)C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O/c1-2-22-8-5-12(6-9-22)10-14(23)21-15(16(17,18)19)13-4-3-7-20-11-13/h3-4,7,11-12,15H,2,5-6,8-10H2,1H3,(H,21,23)
InChIKeyZZMZYISBELWYCJ-UHFFFAOYSA-N
XLogP2.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide
CID 97203687
2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide
CID 99934472
2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 72915989
2-(1-ethylpiperidin-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)acetamide
CID 72847502
N-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide
CID 10320217
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide
CID 97193145
N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 77081558
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404899
2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 72895592
1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoro-1-pyridin-3-ylethyl)urea
CID 118776279
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide (CID 72884358) is 2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide is CCN1CCC(CC(=O)NC(c2cccnc2)C(F)(F)F)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide?
The InChIKey is ZZMZYISBELWYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c1-2-22-8-5-12(6-9-22)10-14(23)21-15(16(17,18)19)13-4-3-7-20-11-13/h3-4,7,11-12,15H,2,5-6,8-10H2,1H3,(H,21,23).
What are the key properties of 2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide?
2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide has a molecular weight of 329.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 72884358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).