3-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C11H16F3N5O — CID 75448673

IUPAC3-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCCC(Cn2cncn2)C1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)6-16-10(20)18-3-1-2-9(4-18)5-19-8-15-7-17-19/h7-9H,1-6H2,(H,16,20)
InChIKeyLOIATCXFAQAMED-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.26
Rot. Bonds3

About 3-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

3-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 75448673) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is 3-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID75448673
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name3-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCCC(Cn2cncn2)C1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)6-16-10(20)18-3-1-2-9(4-18)5-19-8-15-7-17-19/h7-9H,1-6H2,(H,16,20)
InChIKeyLOIATCXFAQAMED-UHFFFAOYSA-N
XLogP1.26
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 3-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 75448673) is 3-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is O=C(NCC(F)(F)F)N1CCCC(Cn2cncn2)C1.
What is the InChIKey of 3-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is LOIATCXFAQAMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c12-11(13,14)6-16-10(20)18-3-1-2-9(4-18)5-19-8-15-7-17-19/h7-9H,1-6H2,(H,16,20).
What are the key properties of 3-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
3-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 291.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 75448673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).