N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-yl]acetamide

C14H18F3N3O2 — CID 12926619

IUPACN-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2cccc(OCC(F)(F)F)n2)CC1
InChIInChI=1S/C14H18F3N3O2/c1-10(21)18-11-5-7-20(8-6-11)12-3-2-4-13(19-12)22-9-14(15,16)17/h2-4,11H,5-9H2,1H3,(H,18,21)
InChIKeyOVFHYSUFZYZAEA-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.13
Rot. Bonds4

About N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-yl]acetamide

N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-yl]acetamide (PubChem CID 12926619) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-yl]acetamide
PubChem CID12926619
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC NameN-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2cccc(OCC(F)(F)F)n2)CC1
InChIInChI=1S/C14H18F3N3O2/c1-10(21)18-11-5-7-20(8-6-11)12-3-2-4-13(19-12)22-9-14(15,16)17/h2-4,11H,5-9H2,1H3,(H,18,21)
InChIKeyOVFHYSUFZYZAEA-UHFFFAOYSA-N
XLogP2.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-yl]acetamide (CID 12926619) is N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2cccc(OCC(F)(F)F)n2)CC1.
What is the InChIKey of N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-yl]acetamide?
The InChIKey is OVFHYSUFZYZAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-10(21)18-11-5-7-20(8-6-11)12-3-2-4-13(19-12)22-9-14(15,16)17/h2-4,11H,5-9H2,1H3,(H,18,21).
What are the key properties of N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-yl]acetamide?
N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-yl]acetamide has a molecular weight of 317.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 12926619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).