N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide

C11H16F3N5O — CID 45236235

IUPACN-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCCC(C(F)(F)F)C2)nn1C
InChIInChI=1S/C11H16F3N5O/c1-7-15-9(17-18(7)2)16-10(20)19-5-3-4-8(6-19)11(12,13)14/h8H,3-6H2,1-2H3,(H,16,17,20)
InChIKeyKXSOMYXVIFUQJS-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.93
Rot. Bonds1

About N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide

N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 45236235) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID45236235
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCCC(C(F)(F)F)C2)nn1C
InChIInChI=1S/C11H16F3N5O/c1-7-15-9(17-18(7)2)16-10(20)19-5-3-4-8(6-19)11(12,13)14/h8H,3-6H2,1-2H3,(H,16,17,20)
InChIKeyKXSOMYXVIFUQJS-UHFFFAOYSA-N
XLogP1.93
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide (CID 45236235) is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide is Cc1nc(NC(=O)N2CCCC(C(F)(F)F)C2)nn1C.
What is the InChIKey of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is KXSOMYXVIFUQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-7-15-9(17-18(7)2)16-10(20)19-5-3-4-8(6-19)11(12,13)14/h8H,3-6H2,1-2H3,(H,16,17,20).
What are the key properties of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 291.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 45236235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).