4-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide

C25H26N4O4 — CID 134801976

IUPAC4-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3-c3ccc(OC)nn3)CC2)cc1
InChIInChI=1S/C25H26N4O4/c1-32-19-9-7-17(8-10-19)24(30)26-18-13-15-29(16-14-18)25(31)21-6-4-3-5-20(21)22-11-12-23(33-2)28-27-22/h3-12,18H,13-16H2,1-2H3,(H,26,30)
InChIKeyUDDWFTDRYMBQNP-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.20
Rot. Bonds6

About 4-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide

4-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide (PubChem CID 134801976) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 4-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
PubChem CID134801976
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name4-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3-c3ccc(OC)nn3)CC2)cc1
InChIInChI=1S/C25H26N4O4/c1-32-19-9-7-17(8-10-19)24(30)26-18-13-15-29(16-14-18)25(31)21-6-4-3-5-20(21)22-11-12-23(33-2)28-27-22/h3-12,18H,13-16H2,1-2H3,(H,26,30)
InChIKeyUDDWFTDRYMBQNP-UHFFFAOYSA-N
XLogP3.20
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide 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 4-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide (CID 134801976) is 4-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide is COc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3-c3ccc(OC)nn3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide?
The InChIKey is UDDWFTDRYMBQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-32-19-9-7-17(8-10-19)24(30)26-18-13-15-29(16-14-18)25(31)21-6-4-3-5-20(21)22-11-12-23(33-2)28-27-22/h3-12,18H,13-16H2,1-2H3,(H,26,30).
What are the key properties of 4-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide?
4-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide has a molecular weight of 446.51 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 134801976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).