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1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C16H17F3N6O2 — CID 155874211

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(c1cnccn1)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1
InChIInChI=1S/C16H17F3N6O2/c17-16(18,19)11-22-14(27)15(25-7-1-4-23-25)2-8-24(9-3-15)13(26)12-10-20-5-6-21-12/h1,4-7,10H,2-3,8-9,11H2,(H,22,27)
InChIKeyCFWHXTRBIHTDKO-UHFFFAOYSA-N
MW382.35 g/mol
LogP0.98
Rot. Bonds4

About 1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 155874211) has the molecular formula C16H17F3N6O2 and a molecular weight of 382.35 g/mol. Its IUPAC name is 1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID155874211
Molecular FormulaC16H17F3N6O2
Molecular Weight382.35 g/mol
Exact Mass382.14
IUPAC Name1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(c1cnccn1)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1
InChIInChI=1S/C16H17F3N6O2/c17-16(18,19)11-22-14(27)15(25-7-1-4-23-25)2-8-24(9-3-15)13(26)12-10-20-5-6-21-12/h1,4-7,10H,2-3,8-9,11H2,(H,22,27)
InChIKeyCFWHXTRBIHTDKO-UHFFFAOYSA-N
XLogP0.98
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 155874211) is 1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(c1cnccn1)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1.
What is the InChIKey of 1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is CFWHXTRBIHTDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O2/c17-16(18,19)11-22-14(27)15(25-7-1-4-23-25)2-8-24(9-3-15)13(26)12-10-20-5-6-21-12/h1,4-7,10H,2-3,8-9,11H2,(H,22,27).
What are the key properties of 1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 382.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 155874211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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