N-(3,5-dimethylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide

C18H22N4O — CID 3222609

IUPACN-(3,5-dimethylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C18H22N4O/c1-13-9-14(2)11-16(10-13)21-18(23)15-3-7-22(8-4-15)17-12-19-5-6-20-17/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,21,23)
InChIKeyQAPLVIGWOYYAQK-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.95
Rot. Bonds3

About N-(3,5-dimethylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide

N-(3,5-dimethylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 3222609) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID3222609
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(3,5-dimethylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C18H22N4O/c1-13-9-14(2)11-16(10-13)21-18(23)15-3-7-22(8-4-15)17-12-19-5-6-20-17/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,21,23)
InChIKeyQAPLVIGWOYYAQK-UHFFFAOYSA-N
XLogP2.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(Phenylamino)-6-(3-acetamidophenyl)pyrazine
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4-methyl-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]benzamide
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1-[4-(Butan-2-yl)phenyl]-3-pyrazin-2-ylurea
CID 6468486
1-Pyrazin-2-yl-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
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CID 23607666

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 3222609) is N-(3,5-dimethylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide is Cc1cc(C)cc(NC(=O)C2CCN(c3cnccn3)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is QAPLVIGWOYYAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-9-14(2)11-16(10-13)21-18(23)15-3-7-22(8-4-15)17-12-19-5-6-20-17/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,21,23).
What are the key properties of N-(3,5-dimethylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-(3,5-dimethylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3222609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).