1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide

C25H28N4O3 — CID 53202235

IUPAC1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C25H28N4O3/c1-32-23-10-6-5-9-21(23)16-26-25(31)20-11-13-28(14-12-20)22-15-24(30)29(27-17-22)18-19-7-3-2-4-8-19/h2-10,15,17,20H,11-14,16,18H2,1H3,(H,26,31)
InChIKeyGMMJFKJLBQCRLG-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.83
Rot. Bonds7

About 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 53202235) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID53202235
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C25H28N4O3/c1-32-23-10-6-5-9-21(23)16-26-25(31)20-11-13-28(14-12-20)22-15-24(30)29(27-17-22)18-19-7-3-2-4-8-19/h2-10,15,17,20H,11-14,16,18H2,1H3,(H,26,31)
InChIKeyGMMJFKJLBQCRLG-UHFFFAOYSA-N
XLogP2.83
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 53202235) is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccccc1CNC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1.
What is the InChIKey of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is GMMJFKJLBQCRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-32-23-10-6-5-9-21(23)16-26-25(31)20-11-13-28(14-12-20)22-15-24(30)29(27-17-22)18-19-7-3-2-4-8-19/h2-10,15,17,20H,11-14,16,18H2,1H3,(H,26,31).
What are the key properties of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53202235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).