N-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide

C21H28N4O — CID 146123959

IUPACN-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(c2cnccn2)CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H28N4O/c1-21(2,3)17-5-7-18(8-6-17)24(4)20(26)16-9-13-25(14-10-16)19-15-22-11-12-23-19/h5-8,11-12,15-16H,9-10,13-14H2,1-4H3
InChIKeyAGBMMXYWZSYJOT-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.65
Rot. Bonds3

About N-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide

N-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 146123959) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID146123959
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(c2cnccn2)CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H28N4O/c1-21(2,3)17-5-7-18(8-6-17)24(4)20(26)16-9-13-25(14-10-16)19-15-22-11-12-23-19/h5-8,11-12,15-16H,9-10,13-14H2,1-4H3
InChIKeyAGBMMXYWZSYJOT-UHFFFAOYSA-N
XLogP3.65
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134005797
N-(4-tert-butylphenyl)-N-methylcyclopropanecarboxamide
CID 69029843
2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid
CID 119346169
N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792102
N-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 134004681
1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 166603322
N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222636
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792182
N-[2-(N-methylanilino)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134035168
(2-methylpiperidin-1-yl)-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 171473302
N-methyl-N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167870
1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38793437

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 146123959) is N-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide is CN(C(=O)C1CCN(c2cnccn2)CC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is AGBMMXYWZSYJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-21(2,3)17-5-7-18(8-6-17)24(4)20(26)16-9-13-25(14-10-16)19-15-22-11-12-23-19/h5-8,11-12,15-16H,9-10,13-14H2,1-4H3.
What are the key properties of N-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 146123959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).