N-methyl-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide

C12H18F3N5O2 — CID 122268832

IUPACN-methyl-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1
InChIInChI=1S/C12H18F3N5O2/c1-16-9(21)7-19-5-3-8(4-6-19)20-11(22)18(2)10(17-20)12(13,14)15/h8H,3-7H2,1-2H3,(H,16,21)
InChIKeyGNRRRBOUOGPMHZ-UHFFFAOYSA-N
MW321.30 g/mol
LogP-0.02
Rot. Bonds3

About N-methyl-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide

N-methyl-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide (PubChem CID 122268832) has the molecular formula C12H18F3N5O2 and a molecular weight of 321.30 g/mol. Its IUPAC name is N-methyl-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide
PubChem CID122268832
Molecular FormulaC12H18F3N5O2
Molecular Weight321.30 g/mol
Exact Mass321.14
IUPAC NameN-methyl-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1
InChIInChI=1S/C12H18F3N5O2/c1-16-9(21)7-19-5-3-8(4-6-19)20-11(22)18(2)10(17-20)12(13,14)15/h8H,3-7H2,1-2H3,(H,16,21)
InChIKeyGNRRRBOUOGPMHZ-UHFFFAOYSA-N
XLogP-0.02
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide (CID 122268832) is N-methyl-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide is CNC(=O)CN1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1.
What is the InChIKey of N-methyl-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide?
The InChIKey is GNRRRBOUOGPMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O2/c1-16-9(21)7-19-5-3-8(4-6-19)20-11(22)18(2)10(17-20)12(13,14)15/h8H,3-7H2,1-2H3,(H,16,21).
What are the key properties of N-methyl-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide?
N-methyl-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide has a molecular weight of 321.30 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 122268832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).