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

C15H18F3N5O — CID 71995949

IUPAC1-(3-cyanopyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(c2nccnc2C#N)C1
InChIInChI=1S/C15H18F3N5O/c1-2-22(10-15(16,17)18)14(24)11-4-3-7-23(9-11)13-12(8-19)20-5-6-21-13/h5-6,11H,2-4,7,9-10H2,1H3
InChIKeyYDSPYBJOFUPWMJ-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.98
Rot. Bonds4

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

1-(3-cyanopyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 71995949) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 1-(3-cyanopyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-cyanopyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID71995949
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name1-(3-cyanopyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(c2nccnc2C#N)C1
InChIInChI=1S/C15H18F3N5O/c1-2-22(10-15(16,17)18)14(24)11-4-3-7-23(9-11)13-12(8-19)20-5-6-21-13/h5-6,11H,2-4,7,9-10H2,1H3
InChIKeyYDSPYBJOFUPWMJ-UHFFFAOYSA-N
XLogP1.98
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120243
3-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile
CID 129612745
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 11165470
(4-Propan-2-yl-1,4-diazepan-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 57843641
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone;hydrochloride
CID 68816636
(4-Propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 68817107
(4-Propan-2-yl-1,4-diazepan-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone;hydrochloride
CID 68817543
(3-Methyl-4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 69145456
3-[3-(Trifluoromethyl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 62867592
2,5-Dimethyl-3-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]pyrazine
CID 90651726
1-(3,6-dimethylpyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 91648181
1-(3,6-dimethylpyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 91648244

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanopyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-cyanopyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 71995949) is 1-(3-cyanopyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-cyanopyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-cyanopyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)C1CCCN(c2nccnc2C#N)C1.
What is the InChIKey of 1-(3-cyanopyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is YDSPYBJOFUPWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-2-22(10-15(16,17)18)14(24)11-4-3-7-23(9-11)13-12(8-19)20-5-6-21-13/h5-6,11H,2-4,7,9-10H2,1H3.
What are the key properties of 1-(3-cyanopyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-(3-cyanopyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanopyrazin-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71995949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).