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

C26H28N4O3 — CID 56761440

IUPACN-(4-acetylphenyl)-2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc(N3CCC(Cc4ccccc4)CC3)ccc2=O)cc1
InChIInChI=1S/C26H28N4O3/c1-19(31)22-7-9-23(10-8-22)27-25(32)18-30-26(33)12-11-24(28-30)29-15-13-21(14-16-29)17-20-5-3-2-4-6-20/h2-12,21H,13-18H2,1H3,(H,27,32)
InChIKeyHCVYUTNISDHQTG-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.54
Rot. Bonds7

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

N-(4-acetylphenyl)-2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 56761440) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID56761440
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-(4-acetylphenyl)-2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc(N3CCC(Cc4ccccc4)CC3)ccc2=O)cc1
InChIInChI=1S/C26H28N4O3/c1-19(31)22-7-9-23(10-8-22)27-25(32)18-30-26(33)12-11-24(28-30)29-15-13-21(14-16-29)17-20-5-3-2-4-6-20/h2-12,21H,13-18H2,1H3,(H,27,32)
InChIKeyHCVYUTNISDHQTG-UHFFFAOYSA-N
XLogP3.54
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 71708480
2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 53369743
1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 39402702
2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 166429237
3-[6-(4-benzylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-methylphenyl)propanamide
CID 20881412
2-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17380707
ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate
CID 22198151
N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide
CID 112985401
N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663125
N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide
CID 109032583
6-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109161603
N-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
CID 53368198

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide (CID 56761440) is N-(4-acetylphenyl)-2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide is CC(=O)c1ccc(NC(=O)Cn2nc(N3CCC(Cc4ccccc4)CC3)ccc2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is HCVYUTNISDHQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-19(31)22-7-9-23(10-8-22)27-25(32)18-30-26(33)12-11-24(28-30)29-15-13-21(14-16-29)17-20-5-3-2-4-6-20/h2-12,21H,13-18H2,1H3,(H,27,32).
What are the key properties of N-(4-acetylphenyl)-2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide?
N-(4-acetylphenyl)-2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 444.54 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 56761440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).