1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C18H19F3N4O — CID 38793437

IUPAC1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)15-3-1-13(2-4-15)11-24-17(26)14-5-9-25(10-6-14)16-12-22-7-8-23-16/h1-4,7-8,12,14H,5-6,9-11H2,(H,24,26)
InChIKeyLMCVMRQBOMMBHH-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.03
Rot. Bonds4

About 1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 38793437) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID38793437
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)15-3-1-13(2-4-15)11-24-17(26)14-5-9-25(10-6-14)16-12-22-7-8-23-16/h1-4,7-8,12,14H,5-6,9-11H2,(H,24,26)
InChIKeyLMCVMRQBOMMBHH-UHFFFAOYSA-N
XLogP3.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134007284
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134053537
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792432
N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 136578446
N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 4876895
1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 46573519
N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 119549612
4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672387
1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 23609091
N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792102

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 38793437) is 1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)C1CCN(c2cnccn2)CC1.
What is the InChIKey of 1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is LMCVMRQBOMMBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c19-18(20,21)15-3-1-13(2-4-15)11-24-17(26)14-5-9-25(10-6-14)16-12-22-7-8-23-16/h1-4,7-8,12,14H,5-6,9-11H2,(H,24,26).
What are the key properties of 1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 3.03, 4 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-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 38793437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).