1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide

C19H22F3N5O — CID 119806404

IUPAC1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide
SMILESO=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H22F3N5O/c20-19(21,22)14-4-1-3-13(11-14)18(7-2-8-18)24-17(28)16-12-27(26-25-16)15-5-9-23-10-6-15/h1,3-4,11-12,15,23H,2,5-10H2,(H,24,28)
InChIKeyWTKRQWCGBNOZLR-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.03
Rot. Bonds4

About 1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide

1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide (PubChem CID 119806404) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide
PubChem CID119806404
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC Name1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide
SMILESO=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H22F3N5O/c20-19(21,22)14-4-1-3-13(11-14)18(7-2-8-18)24-17(28)16-12-27(26-25-16)15-5-9-23-10-6-15/h1,3-4,11-12,15,23H,2,5-10H2,(H,24,28)
InChIKeyWTKRQWCGBNOZLR-UHFFFAOYSA-N
XLogP3.03
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119815411
1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119671254
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119771408
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119697525
3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 119806424
N-[2-(3-methylphenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119795627
N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709312
1-(4-aminocyclohexyl)-N-[1-(4-chlorophenyl)cyclobutyl]triazole-4-carboxamide
CID 77087669
methyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 119701259
N-[cyclopentyl-(3-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119810342
1-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole-4-carboxamide;hydrochloride
CID 119736753
N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119707837

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide (CID 119806404) is 1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide is O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide?
The InChIKey is WTKRQWCGBNOZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c20-19(21,22)14-4-1-3-13(11-14)18(7-2-8-18)24-17(28)16-12-27(26-25-16)15-5-9-23-10-6-15/h1,3-4,11-12,15,23H,2,5-10H2,(H,24,28).
What are the key properties of 1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide?
1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide is sourced from PubChem (CID 119806404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).