N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C16H17F4N5O — CID 119709833

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)nnn1C1CCNCC1
InChIInChI=1S/C16H17F4N5O/c1-9-14(23-24-25(9)11-4-6-21-7-5-11)15(26)22-10-2-3-13(17)12(8-10)16(18,19)20/h2-3,8,11,21H,4-7H2,1H3,(H,22,26)
InChIKeyHSCUWLQOWINSNC-UHFFFAOYSA-N
MW371.34 g/mol
LogP2.92
Rot. Bonds3

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119709833) has the molecular formula C16H17F4N5O and a molecular weight of 371.34 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119709833
Molecular FormulaC16H17F4N5O
Molecular Weight371.34 g/mol
Exact Mass371.14
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)nnn1C1CCNCC1
InChIInChI=1S/C16H17F4N5O/c1-9-14(23-24-25(9)11-4-6-21-7-5-11)15(26)22-10-2-3-13(17)12(8-10)16(18,19)20/h2-3,8,11,21H,4-7H2,1H3,(H,22,26)
InChIKeyHSCUWLQOWINSNC-UHFFFAOYSA-N
XLogP2.92
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119709833) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)nnn1C1CCNCC1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is HSCUWLQOWINSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4N5O/c1-9-14(23-24-25(9)11-4-6-21-7-5-11)15(26)22-10-2-3-13(17)12(8-10)16(18,19)20/h2-3,8,11,21H,4-7H2,1H3,(H,22,26).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 371.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119709833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).