N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide

C14H17F4N3O — CID 165431838

IUPACN-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1(F)CCN(c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C14H17F4N3O/c1-10(22)20-9-13(15)4-6-21(7-5-13)11-2-3-12(19-8-11)14(16,17)18/h2-3,8H,4-7,9H2,1H3,(H,20,22)
InChIKeyVCXUVMIGLIJYIX-UHFFFAOYSA-N
MW319.30 g/mol
LogP2.55
Rot. Bonds3

About N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide

N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide (PubChem CID 165431838) has the molecular formula C14H17F4N3O and a molecular weight of 319.30 g/mol. Its IUPAC name is N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide
PubChem CID165431838
Molecular FormulaC14H17F4N3O
Molecular Weight319.30 g/mol
Exact Mass319.13
IUPAC NameN-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1(F)CCN(c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C14H17F4N3O/c1-10(22)20-9-13(15)4-6-21(7-5-13)11-2-3-12(19-8-11)14(16,17)18/h2-3,8H,4-7,9H2,1H3,(H,20,22)
InChIKeyVCXUVMIGLIJYIX-UHFFFAOYSA-N
XLogP2.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide (CID 165431838) is N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1(F)CCN(c2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is VCXUVMIGLIJYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N3O/c1-10(22)20-9-13(15)4-6-21(7-5-13)11-2-3-12(19-8-11)14(16,17)18/h2-3,8H,4-7,9H2,1H3,(H,20,22).
What are the key properties of N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide?
N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 319.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 165431838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).