N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide

C20H24N4O3 — CID 108557391

IUPACN-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)c3cnccn3)CC2)cc1C
InChIInChI=1S/C20H24N4O3/c1-14-3-4-17(11-15(14)2)27-13-19(25)24-9-5-16(6-10-24)23-20(26)18-12-21-7-8-22-18/h3-4,7-8,11-12,16H,5-6,9-10,13H2,1-2H3,(H,23,26)
InChIKeyGUDXCRMSNMBIJU-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.89
Rot. Bonds5

About N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide

N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 108557391) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID108557391
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)c3cnccn3)CC2)cc1C
InChIInChI=1S/C20H24N4O3/c1-14-3-4-17(11-15(14)2)27-13-19(25)24-9-5-16(6-10-24)23-20(26)18-12-21-7-8-22-18/h3-4,7-8,11-12,16H,5-6,9-10,13H2,1-2H3,(H,23,26)
InChIKeyGUDXCRMSNMBIJU-UHFFFAOYSA-N
XLogP1.89
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549110
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551882
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide
CID 99468805
2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108548368
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 110821817
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864
N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108562614
2-(3,4-dimethylphenoxy)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553023
2-(3,4-dimethylphenoxy)-1-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 3591699
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794063

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide (CID 108557391) is N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide is Cc1ccc(OCC(=O)N2CCC(NC(=O)c3cnccn3)CC2)cc1C.
What is the InChIKey of N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is GUDXCRMSNMBIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-3-4-17(11-15(14)2)27-13-19(25)24-9-5-16(6-10-24)23-20(26)18-12-21-7-8-22-18/h3-4,7-8,11-12,16H,5-6,9-10,13H2,1-2H3,(H,23,26).
What are the key properties of N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide?
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 108557391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).