1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride

C17H21ClF3N5O — CID 119819422

IUPAC1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1CCC(F)(F)F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H20F3N5O.ClH/c18-17(19,20)8-5-12-3-1-2-4-14(12)22-16(26)15-11-25(24-23-15)13-6-9-21-10-7-13;/h1-4,11,13,21H,5-10H2,(H,22,26);1H
InChIKeyYPCWJFBWYCXNID-UHFFFAOYSA-N
MW403.84 g/mol
LogP3.37
Rot. Bonds5

About 1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride

1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride (PubChem CID 119819422) has the molecular formula C17H21ClF3N5O and a molecular weight of 403.84 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride
PubChem CID119819422
Molecular FormulaC17H21ClF3N5O
Molecular Weight403.84 g/mol
Exact Mass403.14
IUPAC Name1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1CCC(F)(F)F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H20F3N5O.ClH/c18-17(19,20)8-5-12-3-1-2-4-14(12)22-16(26)15-11-25(24-23-15)13-6-9-21-10-7-13;/h1-4,11,13,21H,5-10H2,(H,22,26);1H
InChIKeyYPCWJFBWYCXNID-UHFFFAOYSA-N
XLogP3.37
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide
CID 75419659
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CID 119670454
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119819418
N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714079
N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119707837
N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119707297
N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119801422
1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride
CID 119698611
1-piperidin-4-yl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]triazole-4-carboxamide
CID 119821310
N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119696321
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119777299

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride (CID 119819422) is 1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccccc1CCC(F)(F)F)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is YPCWJFBWYCXNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O.ClH/c18-17(19,20)8-5-12-3-1-2-4-14(12)22-16(26)15-11-25(24-23-15)13-6-9-21-10-7-13;/h1-4,11,13,21H,5-10H2,(H,22,26);1H.
What are the key properties of 1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride?
1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride has a molecular weight of 403.84 g/mol, XLogP of 3.37, 5 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-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119819422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).