2-[4-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide

C14H22F3N5O2 — CID 72936226

IUPAC2-[4-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCOCCc1nc(C2CCN(CC(N)=O)CC2)n(CC(F)(F)F)n1
InChIInChI=1S/C14H22F3N5O2/c1-24-7-4-12-19-13(22(20-12)9-14(15,16)17)10-2-5-21(6-3-10)8-11(18)23/h10H,2-9H2,1H3,(H2,18,23)
InChIKeyYHKNRQXKJGZXEU-UHFFFAOYSA-N
MW349.36 g/mol
LogP0.69
Rot. Bonds7

About 2-[4-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide

2-[4-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (PubChem CID 72936226) has the molecular formula C14H22F3N5O2 and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-[4-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
PubChem CID72936226
Molecular FormulaC14H22F3N5O2
Molecular Weight349.36 g/mol
Exact Mass349.17
IUPAC Name2-[4-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCOCCc1nc(C2CCN(CC(N)=O)CC2)n(CC(F)(F)F)n1
InChIInChI=1S/C14H22F3N5O2/c1-24-7-4-12-19-13(22(20-12)9-14(15,16)17)10-2-5-21(6-3-10)8-11(18)23/h10H,2-9H2,1H3,(H2,18,23)
InChIKeyYHKNRQXKJGZXEU-UHFFFAOYSA-N
XLogP0.69
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (CID 72936226) is 2-[4-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is COCCc1nc(C2CCN(CC(N)=O)CC2)n(CC(F)(F)F)n1.
What is the InChIKey of 2-[4-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The InChIKey is YHKNRQXKJGZXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N5O2/c1-24-7-4-12-19-13(22(20-12)9-14(15,16)17)10-2-5-21(6-3-10)8-11(18)23/h10H,2-9H2,1H3,(H2,18,23).
What are the key properties of 2-[4-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
2-[4-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide has a molecular weight of 349.36 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 72936226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).