2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

C14H18F3N3O — CID 90261944

IUPAC2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESO=C(CC1CCNCC1)NCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)12-2-1-11(8-19-12)9-20-13(21)7-10-3-5-18-6-4-10/h1-2,8,10,18H,3-7,9H2,(H,20,21)
InChIKeyHTVZQWJJJQHBHR-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.11
Rot. Bonds4

About 2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (PubChem CID 90261944) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
PubChem CID90261944
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESO=C(CC1CCNCC1)NCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)12-2-1-11(8-19-12)9-20-13(21)7-10-3-5-18-6-4-10/h1-2,8,10,18H,3-7,9H2,(H,20,21)
InChIKeyHTVZQWJJJQHBHR-UHFFFAOYSA-N
XLogP2.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide
CID 115160672
2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55447256
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride
CID 119835872
1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine
CID 169111944
N-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide
CID 171823618
N-[(2-methylpyrimidin-4-yl)methyl]-2-piperidin-4-ylacetamide
CID 54910978
1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide
CID 82795263
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 69185428
N-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 61028976
2-piperidin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide;hydrochloride
CID 119673755
2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 64616743

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (CID 90261944) is 2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is O=C(CC1CCNCC1)NCc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The InChIKey is HTVZQWJJJQHBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c15-14(16,17)12-2-1-11(8-19-12)9-20-13(21)7-10-3-5-18-6-4-10/h1-2,8,10,18H,3-7,9H2,(H,20,21).
What are the key properties of 2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide has a molecular weight of 301.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 90261944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).