N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide

C23H26N4O3S — CID 121071367

IUPACN-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2CCCN(c3ccc(-c4cccs4)nn3)C2)cc1
InChIInChI=1S/C23H26N4O3S/c1-29-18-6-8-19(9-7-18)30-14-12-24-23(28)17-4-2-13-27(16-17)22-11-10-20(25-26-22)21-5-3-15-31-21/h3,5-11,15,17H,2,4,12-14,16H2,1H3,(H,24,28)
InChIKeyVKFAGGIILRUVEG-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.63
Rot. Bonds8

About N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121071367) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID121071367
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2CCCN(c3ccc(-c4cccs4)nn3)C2)cc1
InChIInChI=1S/C23H26N4O3S/c1-29-18-6-8-19(9-7-18)30-14-12-24-23(28)17-4-2-13-27(16-17)22-11-10-20(25-26-22)21-5-3-15-31-21/h3,5-11,15,17H,2,4,12-14,16H2,1H3,(H,24,28)
InChIKeyVKFAGGIILRUVEG-UHFFFAOYSA-N
XLogP3.63
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 121071116
1-(6-thiophen-2-ylpyridazin-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxamide
CID 121071369
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]piperidine-3-carboxamide
CID 121071163
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-3-carboxamide
CID 121071330
N-[(4-phenylmethoxyphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071407
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121119421
(3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 97104664
N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118608
N-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121071786
N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071421
N-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071376
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071245

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 121071367) is N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide is COc1ccc(OCCNC(=O)C2CCCN(c3ccc(-c4cccs4)nn3)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is VKFAGGIILRUVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-29-18-6-8-19(9-7-18)30-14-12-24-23(28)17-4-2-13-27(16-17)22-11-10-20(25-26-22)21-5-3-15-31-21/h3,5-11,15,17H,2,4,12-14,16H2,1H3,(H,24,28).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121071367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).