2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide

C10H12F3N5O2 — CID 154862889

IUPAC2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide
SMILESO=C1CC(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CCN1
InChIInChI=1S/C10H12F3N5O2/c11-10(12,13)9-16-6(17-18-9)4-15-8(20)5-1-2-14-7(19)3-5/h5H,1-4H2,(H,14,19)(H,15,20)(H,16,17,18)
InChIKeyCLHWERZOXXOJSW-UHFFFAOYSA-N
MW291.23 g/mol
LogP-0.03
Rot. Bonds3

About 2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide

2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 154862889) has the molecular formula C10H12F3N5O2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID154862889
Molecular FormulaC10H12F3N5O2
Molecular Weight291.23 g/mol
Exact Mass291.09
IUPAC Name2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide
SMILESO=C1CC(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CCN1
InChIInChI=1S/C10H12F3N5O2/c11-10(12,13)9-16-6(17-18-9)4-15-8(20)5-1-2-14-7(19)3-5/h5H,1-4H2,(H,14,19)(H,15,20)(H,16,17,18)
InChIKeyCLHWERZOXXOJSW-UHFFFAOYSA-N
XLogP-0.03
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 86800226
(3R)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 125439836
(2S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]spiro[2.2]pentane-2-carboxamide
CID 126430984
(4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 126436107
1-cyclobutyl-3-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]urea
CID 155950012
(3S)-1-(2-methoxyethyl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 126430594
(1R,9aR)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide;formic acid
CID 154906788
(4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide
CID 99834444
2-oxo-N-pentylpiperidine-4-carboxamide
CID 110682108
2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide
CID 136532884
3-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide
CID 166224021
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 110682207

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide (CID 154862889) is 2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide is O=C1CC(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CCN1.
What is the InChIKey of 2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is CLHWERZOXXOJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O2/c11-10(12,13)9-16-6(17-18-9)4-15-8(20)5-1-2-14-7(19)3-5/h5H,1-4H2,(H,14,19)(H,15,20)(H,16,17,18).
What are the key properties of 2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide?
2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 291.23 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 154862889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).