1-(2-methoxyethyl)-6-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide

C13H18F3N5O3 — CID 119074621

IUPAC1-(2-methoxyethyl)-6-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CCC1=O
InChIInChI=1S/C13H18F3N5O3/c1-24-5-4-21-7-8(2-3-10(21)22)11(23)17-6-9-18-12(20-19-9)13(14,15)16/h8H,2-7H2,1H3,(H,17,23)(H,18,19,20)
InChIKeyZQSSDHIILFJTQG-UHFFFAOYSA-N
MW349.31 g/mol
LogP0.32
Rot. Bonds6

About 1-(2-methoxyethyl)-6-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide

1-(2-methoxyethyl)-6-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 119074621) has the molecular formula C13H18F3N5O3 and a molecular weight of 349.31 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID119074621
Molecular FormulaC13H18F3N5O3
Molecular Weight349.31 g/mol
Exact Mass349.14
IUPAC Name1-(2-methoxyethyl)-6-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CCC1=O
InChIInChI=1S/C13H18F3N5O3/c1-24-5-4-21-7-8(2-3-10(21)22)11(23)17-6-9-18-12(20-19-9)13(14,15)16/h8H,2-7H2,1H3,(H,17,23)(H,18,19,20)
InChIKeyZQSSDHIILFJTQG-UHFFFAOYSA-N
XLogP0.32
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyethyl)-6-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R*,5S*)-N-[2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72854713
4-[((3S*,5R*)-5-{[4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]carbonyl}piperidin-3-yl)carbonyl]morpholine
CID 72930011
(3S)-1-cycloheptyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97132151
1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide
CID 45913967
(3S)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide
CID 51963890
(3R)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide
CID 51963892
3-(1-methylpiperidin-4-yl)-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}propanamide
CID 119058949
1-ethyl-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}piperidine-3-carboxamide formate
CID 119061880
1-(2-methoxyethyl)-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}piperidine-3-carboxamide
CID 119062386
1-ethyl-3-methyl-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}piperidine-3-carboxamide
CID 119067711
(4,4-difluoropyrrolidin-2-yl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 120954943
N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-3-piperidinecarboxamide hydrochloride
CID 122561940

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide (CID 119074621) is 1-(2-methoxyethyl)-6-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide is COCCN1CC(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CCC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is ZQSSDHIILFJTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5O3/c1-24-5-4-21-7-8(2-3-10(21)22)11(23)17-6-9-18-12(20-19-9)13(14,15)16/h8H,2-7H2,1H3,(H,17,23)(H,18,19,20).
What are the key properties of 1-(2-methoxyethyl)-6-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide?
1-(2-methoxyethyl)-6-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 349.31 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119074621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).