1-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C12H15F3N4O — CID 42950954

IUPAC1-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)8-18-11(20)9-2-1-5-19(7-9)10-6-16-3-4-17-10/h3-4,6,9H,1-2,5,7-8H2,(H,18,20)
InChIKeyZPLINSUZRKOMSM-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.37
Rot. Bonds3

About 1-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 42950954) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID42950954
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name1-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)8-18-11(20)9-2-1-5-19(7-9)10-6-16-3-4-17-10/h3-4,6,9H,1-2,5,7-8H2,(H,18,20)
InChIKeyZPLINSUZRKOMSM-UHFFFAOYSA-N
XLogP1.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 42950954) is 1-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)C1CCCN(c2cnccn2)C1.
What is the InChIKey of 1-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is ZPLINSUZRKOMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)8-18-11(20)9-2-1-5-19(7-9)10-6-16-3-4-17-10/h3-4,6,9H,1-2,5,7-8H2,(H,18,20).
What are the key properties of 1-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 42950954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).