5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide

C17H20F3N5O2 — CID 119697678

IUPAC5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2OC(F)(F)F)nnn1C1CCNCC1
InChIInChI=1S/C17H20F3N5O2/c1-11-15(23-24-25(11)13-6-8-21-9-7-13)16(26)22-10-12-4-2-3-5-14(12)27-17(18,19)20/h2-5,13,21H,6-10H2,1H3,(H,22,26)
InChIKeyYEDWZVJWMSEASU-UHFFFAOYSA-N
MW383.37 g/mol
LogP2.34
Rot. Bonds5

About 5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide

5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide (PubChem CID 119697678) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
PubChem CID119697678
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC Name5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2OC(F)(F)F)nnn1C1CCNCC1
InChIInChI=1S/C17H20F3N5O2/c1-11-15(23-24-25(11)13-6-8-21-9-7-13)16(26)22-10-12-4-2-3-5-14(12)27-17(18,19)20/h2-5,13,21H,6-10H2,1H3,(H,22,26)
InChIKeyYEDWZVJWMSEASU-UHFFFAOYSA-N
XLogP2.34
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide (CID 119697678) is 5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide is Cc1c(C(=O)NCc2ccccc2OC(F)(F)F)nnn1C1CCNCC1.
What is the InChIKey of 5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide?
The InChIKey is YEDWZVJWMSEASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c1-11-15(23-24-25(11)13-6-8-21-9-7-13)16(26)22-10-12-4-2-3-5-14(12)27-17(18,19)20/h2-5,13,21H,6-10H2,1H3,(H,22,26).
What are the key properties of 5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide?
5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 119697678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).