N-(2-methylpiperidin-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

C16H18F3N5O — CID 120599354

IUPACN-(2-methylpiperidin-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCC1CC(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CCN1
InChIInChI=1S/C16H18F3N5O/c1-10-8-11(6-7-20-10)21-15(25)13-9-24(23-22-13)14-5-3-2-4-12(14)16(17,18)19/h2-5,9-11,20H,6-8H2,1H3,(H,21,25)
InChIKeyKOYUUGSXBDQVJQ-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.16
Rot. Bonds3

About N-(2-methylpiperidin-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

N-(2-methylpiperidin-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 120599354) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID120599354
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC NameN-(2-methylpiperidin-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCC1CC(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CCN1
InChIInChI=1S/C16H18F3N5O/c1-10-8-11(6-7-20-10)21-15(25)13-9-24(23-22-13)14-5-3-2-4-12(14)16(17,18)19/h2-5,9-11,20H,6-8H2,1H3,(H,21,25)
InChIKeyKOYUUGSXBDQVJQ-UHFFFAOYSA-N
XLogP2.16
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 120599354) is N-(2-methylpiperidin-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is CC1CC(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is KOYUUGSXBDQVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-10-8-11(6-7-20-10)21-15(25)13-9-24(23-22-13)14-5-3-2-4-12(14)16(17,18)19/h2-5,9-11,20H,6-8H2,1H3,(H,21,25).
What are the key properties of N-(2-methylpiperidin-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
N-(2-methylpiperidin-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 120599354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).