N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide

C20H19ClF3N5O — CID 78818076

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2nnc3ccccn23)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H19ClF3N5O/c21-16-5-4-14(11-15(16)20(22,23)24)25-18(30)12-28-9-6-13(7-10-28)19-27-26-17-3-1-2-8-29(17)19/h1-5,8,11,13H,6-7,9-10,12H2,(H,25,30)
InChIKeyHWLOQXRVJXDPFA-UHFFFAOYSA-N
MW437.85 g/mol
LogP4.22
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide (PubChem CID 78818076) has the molecular formula C20H19ClF3N5O and a molecular weight of 437.85 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
PubChem CID78818076
Molecular FormulaC20H19ClF3N5O
Molecular Weight437.85 g/mol
Exact Mass437.12
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2nnc3ccccn23)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H19ClF3N5O/c21-16-5-4-14(11-15(16)20(22,23)24)25-18(30)12-28-9-6-13(7-10-28)19-27-26-17-3-1-2-8-29(17)19/h1-5,8,11,13H,6-7,9-10,12H2,(H,25,30)
InChIKeyHWLOQXRVJXDPFA-UHFFFAOYSA-N
XLogP4.22
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.85
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78818080
N-(3-methoxyphenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 95188322
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 86908992
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1469552
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 5066273
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 31479408
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetamide
CID 30740117
2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 78832352
N-(4-chloro-2-fluorophenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 78830176
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]acetamide
CID 46689409
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78818249
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78818259

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide (CID 78818076) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(c2nnc3ccccn23)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide?
The InChIKey is HWLOQXRVJXDPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N5O/c21-16-5-4-14(11-15(16)20(22,23)24)25-18(30)12-28-9-6-13(7-10-28)19-27-26-17-3-1-2-8-29(17)19/h1-5,8,11,13H,6-7,9-10,12H2,(H,25,30).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide has a molecular weight of 437.85 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 78818076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).