N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide

C19H24F3N5O — CID 119771408

IUPACN-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1cn(C2CCNCC2)nn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H24F3N5O/c1-18(2,13-4-3-5-14(10-13)19(20,21)22)12-24-17(28)16-11-27(26-25-16)15-6-8-23-9-7-15/h3-5,10-11,15,23H,6-9,12H2,1-2H3,(H,24,28)
InChIKeyCBIKFCKYJZBMCI-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.93
Rot. Bonds5

About N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119771408) has the molecular formula C19H24F3N5O and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119771408
Molecular FormulaC19H24F3N5O
Molecular Weight395.43 g/mol
Exact Mass395.19
IUPAC NameN-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1cn(C2CCNCC2)nn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H24F3N5O/c1-18(2,13-4-3-5-14(10-13)19(20,21)22)12-24-17(28)16-11-27(26-25-16)15-6-8-23-9-7-15/h3-5,10-11,15,23H,6-9,12H2,1-2H3,(H,24,28)
InChIKeyCBIKFCKYJZBMCI-UHFFFAOYSA-N
XLogP2.93
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119671254
1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide
CID 119806404
N-[2-(3-methylphenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119795627
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709312
1-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole-4-carboxamide;hydrochloride
CID 119736753
N-(2-methyl-2-morpholin-4-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119830188
ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283121
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119850016
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119771408) is N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide is CC(C)(CNC(=O)c1cn(C2CCNCC2)nn1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is CBIKFCKYJZBMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O/c1-18(2,13-4-3-5-14(10-13)19(20,21)22)12-24-17(28)16-11-27(26-25-16)15-6-8-23-9-7-15/h3-5,10-11,15,23H,6-9,12H2,1-2H3,(H,24,28).
What are the key properties of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119771408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).