N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide

C18H22N4O3 — CID 71809789

IUPACN-[4-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESCOC1CCCN(c2ccc(NC(=O)Cn3ncccc3=O)cc2)C1
InChIInChI=1S/C18H22N4O3/c1-25-16-4-3-11-21(12-16)15-8-6-14(7-9-15)20-17(23)13-22-18(24)5-2-10-19-22/h2,5-10,16H,3-4,11-13H2,1H3,(H,20,23)
InChIKeyGBTSJITTYWOZGU-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.50
Rot. Bonds5

About N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide

N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 71809789) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide
PubChem CID71809789
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESCOC1CCCN(c2ccc(NC(=O)Cn3ncccc3=O)cc2)C1
InChIInChI=1S/C18H22N4O3/c1-25-16-4-3-11-21(12-16)15-8-6-14(7-9-15)20-17(23)13-22-18(24)5-2-10-19-22/h2,5-10,16H,3-4,11-13H2,1H3,(H,20,23)
InChIKeyGBTSJITTYWOZGU-UHFFFAOYSA-N
XLogP1.50
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 90595882
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 71809763
2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141698
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141569
2-(2-methoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141457
2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427776
1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea
CID 121141708
2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141474
2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427785
2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide
CID 97427649
2-(4-fluorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141438

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide (CID 71809789) is N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide is COC1CCCN(c2ccc(NC(=O)Cn3ncccc3=O)cc2)C1.
What is the InChIKey of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide?
The InChIKey is GBTSJITTYWOZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-25-16-4-3-11-21(12-16)15-8-6-14(7-9-15)20-17(23)13-22-18(24)5-2-10-19-22/h2,5-10,16H,3-4,11-13H2,1H3,(H,20,23).
What are the key properties of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide?
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 71809789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).