2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide

C19H22N4O3 — CID 108530730

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)Nc2cc(C)ccn2)CC1
InChIInChI=1S/C19H22N4O3/c1-14-7-8-20-17(13-14)21-18(24)19(25)23-11-9-22(10-12-23)15-5-3-4-6-16(15)26-2/h3-8,13H,9-12H2,1-2H3,(H,20,21,24)
InChIKeyCEECAAQFAHDYST-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.69
Rot. Bonds3

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide (PubChem CID 108530730) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide
PubChem CID108530730
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)Nc2cc(C)ccn2)CC1
InChIInChI=1S/C19H22N4O3/c1-14-7-8-20-17(13-14)21-18(24)19(25)23-11-9-22(10-12-23)15-5-3-4-6-16(15)26-2/h3-8,13H,9-12H2,1-2H3,(H,20,21,24)
InChIKeyCEECAAQFAHDYST-UHFFFAOYSA-N
XLogP1.69
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide
CID 108532336
N-(2-methoxyphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 45000000
N-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108525435
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501448
N-(3H-benzimidazol-5-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108529250
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methyl-2-pyridinyl)benzimidazole-2-carboxamide
CID 14371300
4-(2-methoxyphenyl)-N-pyrazin-2-ylpiperazine-1-carboxamide
CID 110492522
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108530749
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108530744
N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108513767
N-[4-(diethylamino)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108530576
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide (CID 108530730) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide is COc1ccccc1N1CCN(C(=O)C(=O)Nc2cc(C)ccn2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide?
The InChIKey is CEECAAQFAHDYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-14-7-8-20-17(13-14)21-18(24)19(25)23-11-9-22(10-12-23)15-5-3-4-6-16(15)26-2/h3-8,13H,9-12H2,1-2H3,(H,20,21,24).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide has a molecular weight of 354.41 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 108530730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).