1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

C23H26N4O2S — CID 53202265

IUPAC1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C23H26N4O2S/c28-22-15-20(16-25-27(22)17-18-5-2-1-3-6-18)26-12-9-19(10-13-26)23(29)24-11-8-21-7-4-14-30-21/h1-7,14-16,19H,8-13,17H2,(H,24,29)
InChIKeyFQXMNGXFWMUIID-UHFFFAOYSA-N
MW422.55 g/mol
LogP2.93
Rot. Bonds7

About 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 53202265) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID53202265
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C23H26N4O2S/c28-22-15-20(16-25-27(22)17-18-5-2-1-3-6-18)26-12-9-19(10-13-26)23(29)24-11-8-21-7-4-14-30-21/h1-7,14-16,19H,8-13,17H2,(H,24,29)
InChIKeyFQXMNGXFWMUIID-UHFFFAOYSA-N
XLogP2.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-thiophen-2-ylethyl)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-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 53202265) is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is O=C(NCCc1cccs1)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1.
What is the InChIKey of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is FQXMNGXFWMUIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c28-22-15-20(16-25-27(22)17-18-5-2-1-3-6-18)26-12-9-19(10-13-26)23(29)24-11-8-21-7-4-14-30-21/h1-7,14-16,19H,8-13,17H2,(H,24,29).
What are the key properties of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 2.93, 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-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53202265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).