1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C19H21N5O2 — CID 133485103

IUPAC1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3cnc(C#N)cn3)CC2)cc1
InChIInChI=1S/C19H21N5O2/c1-26-17-4-2-14(3-5-17)11-23-19(25)15-6-8-24(9-7-15)18-13-21-16(10-20)12-22-18/h2-5,12-13,15H,6-9,11H2,1H3,(H,23,25)
InChIKeyBGBJKHFGNMUSGP-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.89
Rot. Bonds5

About 1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 133485103) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID133485103
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3cnc(C#N)cn3)CC2)cc1
InChIInChI=1S/C19H21N5O2/c1-26-17-4-2-14(3-5-17)11-23-19(25)15-6-8-24(9-7-15)18-13-21-16(10-20)12-22-18/h2-5,12-13,15H,6-9,11H2,1H3,(H,23,25)
InChIKeyBGBJKHFGNMUSGP-UHFFFAOYSA-N
XLogP1.89
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 4876895
1-(6-cyano-2-pyridinyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356309
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476
N-[(4-methoxyphenyl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514032
2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 134698273
1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 133341587
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
1-(4-cyano-2-nitrophenyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 133341521
methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate
CID 10882206
1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131894163
N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 133341503

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 133485103) is 1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(c3cnc(C#N)cn3)CC2)cc1.
What is the InChIKey of 1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is BGBJKHFGNMUSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-26-17-4-2-14(3-5-17)11-23-19(25)15-6-8-24(9-7-15)18-13-21-16(10-20)12-22-18/h2-5,12-13,15H,6-9,11H2,1H3,(H,23,25).
What are the key properties of 1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 133485103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).