N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C17H19F4N5O — CID 119070491

IUPACN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc(C2CCN(C(=O)NCc3ccc(C(F)(F)F)cc3F)CC2)n[nH]1
InChIInChI=1S/C17H19F4N5O/c1-10-23-15(25-24-10)11-4-6-26(7-5-11)16(27)22-9-12-2-3-13(8-14(12)18)17(19,20)21/h2-3,8,11H,4-7,9H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyQGLQHPADZOSSEM-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.36
Rot. Bonds3

About N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 119070491) has the molecular formula C17H19F4N5O and a molecular weight of 385.37 g/mol. Its IUPAC name is N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID119070491
Molecular FormulaC17H19F4N5O
Molecular Weight385.37 g/mol
Exact Mass385.15
IUPAC NameN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc(C2CCN(C(=O)NCc3ccc(C(F)(F)F)cc3F)CC2)n[nH]1
InChIInChI=1S/C17H19F4N5O/c1-10-23-15(25-24-10)11-4-6-26(7-5-11)16(27)22-9-12-2-3-13(8-14(12)18)17(19,20)21/h2-3,8,11H,4-7,9H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyQGLQHPADZOSSEM-UHFFFAOYSA-N
XLogP3.36
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 119070491) is N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide is Cc1nc(C2CCN(C(=O)NCc3ccc(C(F)(F)F)cc3F)CC2)n[nH]1.
What is the InChIKey of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is QGLQHPADZOSSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4N5O/c1-10-23-15(25-24-10)11-4-6-26(7-5-11)16(27)22-9-12-2-3-13(8-14(12)18)17(19,20)21/h2-3,8,11H,4-7,9H2,1H3,(H,22,27)(H,23,24,25).
What are the key properties of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 385.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 119070491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).