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

C18H22N4O3 — CID 90595882

IUPACN-[4-(4-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESCOC1CCN(c2ccc(NC(=O)Cn3ncccc3=O)cc2)CC1
InChIInChI=1S/C18H22N4O3/c1-25-16-8-11-21(12-9-16)15-6-4-14(5-7-15)20-17(23)13-22-18(24)3-2-10-19-22/h2-7,10,16H,8-9,11-13H2,1H3,(H,20,23)
InChIKeyGPFCZQMQKINKFD-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.50
Rot. Bonds5

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

N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 90595882) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide
PubChem CID90595882
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESCOC1CCN(c2ccc(NC(=O)Cn3ncccc3=O)cc2)CC1
InChIInChI=1S/C18H22N4O3/c1-25-16-8-11-21(12-9-16)15-6-4-14(5-7-15)20-17(23)13-22-18(24)3-2-10-19-22/h2-7,10,16H,8-9,11-13H2,1H3,(H,20,23)
InChIKeyGPFCZQMQKINKFD-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-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 71809789
N-[4-(4-methoxypiperidin-1-yl)phenyl]butanamide
CID 90595801
2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide
CID 90595833
2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide
CID 90595794
2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide
CID 97427649
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-naphthalen-1-ylpropanamide
CID 71809665
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 90595766
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide
CID 97427535
2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141698
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122287106
3-(4-chloro-3-fluorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]propanamide
CID 90595771
2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110689996

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide (CID 90595882) is N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide is COC1CCN(c2ccc(NC(=O)Cn3ncccc3=O)cc2)CC1.
What is the InChIKey of N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide?
The InChIKey is GPFCZQMQKINKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-25-16-8-11-21(12-9-16)15-6-4-14(5-7-15)20-17(23)13-22-18(24)3-2-10-19-22/h2-7,10,16H,8-9,11-13H2,1H3,(H,20,23).
What are the key properties of N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide?
N-[4-(4-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-(4-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 90595882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).