N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C18H22N4O2 — CID 3222630

IUPACN-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C18H22N4O2/c1-24-16-4-2-14(3-5-16)12-21-18(23)15-6-10-22(11-7-15)17-13-19-8-9-20-17/h2-5,8-9,13,15H,6-7,10-12H2,1H3,(H,21,23)
InChIKeyQEISBLMLWRJCDS-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.02
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 3222630) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID3222630
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C18H22N4O2/c1-24-16-4-2-14(3-5-16)12-21-18(23)15-6-10-22(11-7-15)17-13-19-8-9-20-17/h2-5,8-9,13,15H,6-7,10-12H2,1H3,(H,21,23)
InChIKeyQEISBLMLWRJCDS-UHFFFAOYSA-N
XLogP2.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134053537
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134007284
1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 23609091
1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38793437
1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 133485103
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792432
N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 4876895
N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 136578446
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90519455
N-[(4-methoxyphenyl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514032
1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 133341587

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 3222630) is N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is QEISBLMLWRJCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-16-4-2-14(3-5-16)12-21-18(23)15-6-10-22(11-7-15)17-13-19-8-9-20-17/h2-5,8-9,13,15H,6-7,10-12H2,1H3,(H,21,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3222630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).