N-(3,5-dimethoxyphenyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide

C21H28N4O4 — CID 91907053

IUPACN-(3,5-dimethoxyphenyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCCn1ncc(N2CCCC(CC(=O)Nc3cc(OC)cc(OC)c3)C2)cc1=O
InChIInChI=1S/C21H28N4O4/c1-4-25-21(27)11-17(13-22-25)24-7-5-6-15(14-24)8-20(26)23-16-9-18(28-2)12-19(10-16)29-3/h9-13,15H,4-8,14H2,1-3H3,(H,23,26)
InChIKeyXJHFBNYQPYFHMO-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.53
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide

N-(3,5-dimethoxyphenyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide (PubChem CID 91907053) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
PubChem CID91907053
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCCn1ncc(N2CCCC(CC(=O)Nc3cc(OC)cc(OC)c3)C2)cc1=O
InChIInChI=1S/C21H28N4O4/c1-4-25-21(27)11-17(13-22-25)24-7-5-6-15(14-24)8-20(26)23-16-9-18(28-2)12-19(10-16)29-3/h9-13,15H,4-8,14H2,1-3H3,(H,23,26)
InChIKeyXJHFBNYQPYFHMO-UHFFFAOYSA-N
XLogP2.53
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3,5-dimethoxyphenyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide 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 N-(3,5-dimethoxyphenyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide (CID 91907053) is N-(3,5-dimethoxyphenyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide is CCn1ncc(N2CCCC(CC(=O)Nc3cc(OC)cc(OC)c3)C2)cc1=O.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is XJHFBNYQPYFHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-4-25-21(27)11-17(13-22-25)24-7-5-6-15(14-24)8-20(26)23-16-9-18(28-2)12-19(10-16)29-3/h9-13,15H,4-8,14H2,1-3H3,(H,23,26).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 91907053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).