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

C17H20F3N5O2 — CID 119721502

IUPAC1-piperidin-4-yl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]triazole-4-carboxamide
SMILESO=C(NCCc1ccc(OC(F)(F)F)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H20F3N5O2/c18-17(19,20)27-14-3-1-12(2-4-14)5-10-22-16(26)15-11-25(24-23-15)13-6-8-21-9-7-13/h1-4,11,13,21H,5-10H2,(H,22,26)
InChIKeyAEKZMCQEQWAOBV-UHFFFAOYSA-N
MW383.37 g/mol
LogP2.07
Rot. Bonds6

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

1-piperidin-4-yl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]triazole-4-carboxamide (PubChem CID 119721502) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]triazole-4-carboxamide
PubChem CID119721502
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC Name1-piperidin-4-yl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]triazole-4-carboxamide
SMILESO=C(NCCc1ccc(OC(F)(F)F)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H20F3N5O2/c18-17(19,20)27-14-3-1-12(2-4-14)5-10-22-16(26)15-11-25(24-23-15)13-6-8-21-9-7-13/h1-4,11,13,21H,5-10H2,(H,22,26)
InChIKeyAEKZMCQEQWAOBV-UHFFFAOYSA-N
XLogP2.07
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-piperidin-4-yl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]triazole-4-carboxamide
CID 119821310
1-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole-4-carboxamide;hydrochloride
CID 119736753
1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide;hydrochloride
CID 119727706
N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119688217
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-[2-(4-chlorophenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119690029
1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 63283028
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
N-[3-(4-methylphenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119757238
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]triazole-4-carboxamide (CID 119721502) is 1-piperidin-4-yl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]triazole-4-carboxamide is O=C(NCCc1ccc(OC(F)(F)F)cc1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]triazole-4-carboxamide?
The InChIKey is AEKZMCQEQWAOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c18-17(19,20)27-14-3-1-12(2-4-14)5-10-22-16(26)15-11-25(24-23-15)13-6-8-21-9-7-13/h1-4,11,13,21H,5-10H2,(H,22,26).
What are the key properties of 1-piperidin-4-yl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]triazole-4-carboxamide?
1-piperidin-4-yl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]triazole-4-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 119721502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).