2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide

C25H27FN4O2 — CID 71708480

IUPAC2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)NCc1ccccc1F
InChIInChI=1S/C25H27FN4O2/c26-22-9-5-4-8-21(22)17-27-24(31)18-30-25(32)11-10-23(28-30)29-14-12-20(13-15-29)16-19-6-2-1-3-7-19/h1-11,20H,12-18H2,(H,27,31)
InChIKeyATQYFDUCMMKRNI-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.16
Rot. Bonds7

About 2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide

2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 71708480) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID71708480
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)NCc1ccccc1F
InChIInChI=1S/C25H27FN4O2/c26-22-9-5-4-8-21(22)17-27-24(31)18-30-25(32)11-10-23(28-30)29-14-12-20(13-15-29)16-19-6-2-1-3-7-19/h1-11,20H,12-18H2,(H,27,31)
InChIKeyATQYFDUCMMKRNI-UHFFFAOYSA-N
XLogP3.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 53369743
2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8539276
2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 166429237
N-(4-acetylphenyl)-2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide
CID 56761440
N-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
CID 53368198
N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
CID 53371201
2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide
CID 51052835
N-ethyl-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53023501
1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone
CID 108997532
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031194
N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55829227
3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 42850898

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide (CID 71708480) is 2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide is O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)NCc1ccccc1F.
What is the InChIKey of 2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is ATQYFDUCMMKRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c26-22-9-5-4-8-21(22)17-27-24(31)18-30-25(32)11-10-23(28-30)29-14-12-20(13-15-29)16-19-6-2-1-3-7-19/h1-11,20H,12-18H2,(H,27,31).
What are the key properties of 2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 434.52 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 71708480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).