N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride

C18H23ClF3N5O2 — CID 120890672

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)CCNCC1.Cl
InChIInChI=1S/C18H22F3N5O2.ClH/c1-28-12-17(5-7-22-8-6-17)11-23-16(27)15-10-26(25-24-15)14-4-2-3-13(9-14)18(19,20)21;/h2-4,9-10,22H,5-8,11-12H2,1H3,(H,23,27);1H
InChIKeyMWIVEGYHSDFCFZ-UHFFFAOYSA-N
MW433.86 g/mol
LogP2.45
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride (PubChem CID 120890672) has the molecular formula C18H23ClF3N5O2 and a molecular weight of 433.86 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
PubChem CID120890672
Molecular FormulaC18H23ClF3N5O2
Molecular Weight433.86 g/mol
Exact Mass433.15
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)CCNCC1.Cl
InChIInChI=1S/C18H22F3N5O2.ClH/c1-28-12-17(5-7-22-8-6-17)11-23-16(27)15-10-26(25-24-15)14-4-2-3-13(9-14)18(19,20)21;/h2-4,9-10,22H,5-8,11-12H2,1H3,(H,23,27);1H
InChIKeyMWIVEGYHSDFCFZ-UHFFFAOYSA-N
XLogP2.45
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.86
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride 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

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride
CID 120890524
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120888355
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119500898
1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide;hydrochloride
CID 120892083
N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119565658
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 120889134
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 120888288
2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide
CID 120888865
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 120889204
4-methyl-4-[[1-[3-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]pentanoic acid
CID 119357117
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 120887619

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride (CID 120890672) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride is COCC1(CNC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is MWIVEGYHSDFCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O2.ClH/c1-28-12-17(5-7-22-8-6-17)11-23-16(27)15-10-26(25-24-15)14-4-2-3-13(9-14)18(19,20)21;/h2-4,9-10,22H,5-8,11-12H2,1H3,(H,23,27);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride has a molecular weight of 433.86 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120890672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).