N-ethyl-1-(2H-triazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C13H18F3N5O2 — CID 71998429

IUPACN-ethyl-1-(2H-triazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C13H18F3N5O2/c1-2-20(8-13(14,15)16)11(22)9-4-3-5-21(7-9)12(23)10-6-17-19-18-10/h6,9H,2-5,7-8H2,1H3,(H,17,18,19)
InChIKeyHTCDIUYMLCATML-UHFFFAOYSA-N
MW333.31 g/mol
LogP1.07
Rot. Bonds4

About N-ethyl-1-(2H-triazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-ethyl-1-(2H-triazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 71998429) has the molecular formula C13H18F3N5O2 and a molecular weight of 333.31 g/mol. Its IUPAC name is N-ethyl-1-(2H-triazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2H-triazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID71998429
Molecular FormulaC13H18F3N5O2
Molecular Weight333.31 g/mol
Exact Mass333.14
IUPAC NameN-ethyl-1-(2H-triazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C13H18F3N5O2/c1-2-20(8-13(14,15)16)11(22)9-4-3-5-21(7-9)12(23)10-6-17-19-18-10/h6,9H,2-5,7-8H2,1H3,(H,17,18,19)
InChIKeyHTCDIUYMLCATML-UHFFFAOYSA-N
XLogP1.07
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2H-triazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(2H-triazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 71998429) is N-ethyl-1-(2H-triazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(2H-triazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(2H-triazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)c2cn[nH]n2)C1.
What is the InChIKey of N-ethyl-1-(2H-triazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is HTCDIUYMLCATML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5O2/c1-2-20(8-13(14,15)16)11(22)9-4-3-5-21(7-9)12(23)10-6-17-19-18-10/h6,9H,2-5,7-8H2,1H3,(H,17,18,19).
What are the key properties of N-ethyl-1-(2H-triazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-ethyl-1-(2H-triazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 333.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2H-triazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71998429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).