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

C16H17F3N6O2 — CID 155874211

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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Related Compounds

4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
CID 120924691
N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874619
[4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 115304614
N-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 155874544
4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155858208
1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
CID 97412790
(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155836968
N-(2,2-dimethylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922205
[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone
CID 155877184
[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 121200756
[9-[(1-methylpyrrol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone
CID 97450392
1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155875526

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).