N-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide

C13H15ClF3N3O — CID 102716142

IUPACN-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1
InChIInChI=1S/C13H15ClF3N3O/c1-8(21)18-10-2-4-20(5-3-10)12-7-9(13(15,16)17)6-11(14)19-12/h6-7,10H,2-5H2,1H3,(H,18,21)
InChIKeyVVFQLXSRYRWYAF-UHFFFAOYSA-N
MW321.73 g/mol
LogP2.86
Rot. Bonds2

About N-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide

N-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide (PubChem CID 102716142) has the molecular formula C13H15ClF3N3O and a molecular weight of 321.73 g/mol. Its IUPAC name is N-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
PubChem CID102716142
Molecular FormulaC13H15ClF3N3O
Molecular Weight321.73 g/mol
Exact Mass321.09
IUPAC NameN-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1
InChIInChI=1S/C13H15ClF3N3O/c1-8(21)18-10-2-4-20(5-3-10)12-7-9(13(15,16)17)6-11(14)19-12/h6-7,10H,2-5H2,1H3,(H,18,21)
InChIKeyVVFQLXSRYRWYAF-UHFFFAOYSA-N
XLogP2.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.73
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide (CID 102716142) is N-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1.
What is the InChIKey of N-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
The InChIKey is VVFQLXSRYRWYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N3O/c1-8(21)18-10-2-4-20(5-3-10)12-7-9(13(15,16)17)6-11(14)19-12/h6-7,10H,2-5H2,1H3,(H,18,21).
What are the key properties of N-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
N-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide has a molecular weight of 321.73 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 102716142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).