1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride

C16H19ClF3N5O2 — CID 119698611

IUPAC1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H18F3N5O2.ClH/c17-16(18,19)10-26-13-3-1-11(2-4-13)21-15(25)14-9-24(23-22-14)12-5-7-20-8-6-12;/h1-4,9,12,20H,5-8,10H2,(H,21,25);1H
InChIKeyITHRAFKQVXVKLJ-UHFFFAOYSA-N
MW405.81 g/mol
LogP2.82
Rot. Bonds5

About 1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride

1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride (PubChem CID 119698611) has the molecular formula C16H19ClF3N5O2 and a molecular weight of 405.81 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride
PubChem CID119698611
Molecular FormulaC16H19ClF3N5O2
Molecular Weight405.81 g/mol
Exact Mass405.12
IUPAC Name1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H18F3N5O2.ClH/c17-16(18,19)10-26-13-3-1-11(2-4-13)21-15(25)14-9-24(23-22-14)12-5-7-20-8-6-12;/h1-4,9,12,20H,5-8,10H2,(H,21,25);1H
InChIKeyITHRAFKQVXVKLJ-UHFFFAOYSA-N
XLogP2.82
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.81
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide
CID 119698612
N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119763422
1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide
CID 119867835
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119793747
1-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole-4-carboxamide;hydrochloride
CID 119736753
N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119702447
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119672434
N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119849080
N-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119752139
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119703611
1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119828958

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride (CID 119698611) is 1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is ITHRAFKQVXVKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2.ClH/c17-16(18,19)10-26-13-3-1-11(2-4-13)21-15(25)14-9-24(23-22-14)12-5-7-20-8-6-12;/h1-4,9,12,20H,5-8,10H2,(H,21,25);1H.
What are the key properties of 1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride?
1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride has a molecular weight of 405.81 g/mol, XLogP of 2.82, 5 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-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119698611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).