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

C23H23F3N4O2S — CID 121071369

IUPAC1-(6-thiophen-2-ylpyridazin-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCOc1cccc(C(F)(F)F)c1)C1CCCN(c2ccc(-c3cccs3)nn2)C1
InChIInChI=1S/C23H23F3N4O2S/c24-23(25,26)17-5-1-6-18(14-17)32-12-10-27-22(31)16-4-2-11-30(15-16)21-9-8-19(28-29-21)20-7-3-13-33-20/h1,3,5-9,13-14,16H,2,4,10-12,15H2,(H,27,31)
InChIKeyHBPGVJZNRVFACH-UHFFFAOYSA-N
MW476.52 g/mol
LogP4.64
Rot. Bonds7

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

1-(6-thiophen-2-ylpyridazin-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxamide (PubChem CID 121071369) has the molecular formula C23H23F3N4O2S and a molecular weight of 476.52 g/mol. Its IUPAC name is 1-(6-thiophen-2-ylpyridazin-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-thiophen-2-ylpyridazin-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxamide
PubChem CID121071369
Molecular FormulaC23H23F3N4O2S
Molecular Weight476.52 g/mol
Exact Mass476.15
IUPAC Name1-(6-thiophen-2-ylpyridazin-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCOc1cccc(C(F)(F)F)c1)C1CCCN(c2ccc(-c3cccs3)nn2)C1
InChIInChI=1S/C23H23F3N4O2S/c24-23(25,26)17-5-1-6-18(14-17)32-12-10-27-22(31)16-4-2-11-30(15-16)21-9-8-19(28-29-21)20-7-3-13-33-20/h1,3,5-9,13-14,16H,2,4,10-12,15H2,(H,27,31)
InChIKeyHBPGVJZNRVFACH-UHFFFAOYSA-N
XLogP4.64
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071367
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-3-carboxamide
CID 121071330
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121119421
N-[(4-phenylmethoxyphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071407
N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071421
(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-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071245
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-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide
CID 121072092
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 121071116
N-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071376
N-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121071786

Frequently Asked Questions

What is the IUPAC name of 1-(6-thiophen-2-ylpyridazin-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(6-thiophen-2-ylpyridazin-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxamide (CID 121071369) is 1-(6-thiophen-2-ylpyridazin-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-thiophen-2-ylpyridazin-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(6-thiophen-2-ylpyridazin-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxamide is O=C(NCCOc1cccc(C(F)(F)F)c1)C1CCCN(c2ccc(-c3cccs3)nn2)C1.
What is the InChIKey of 1-(6-thiophen-2-ylpyridazin-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxamide?
The InChIKey is HBPGVJZNRVFACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2S/c24-23(25,26)17-5-1-6-18(14-17)32-12-10-27-22(31)16-4-2-11-30(15-16)21-9-8-19(28-29-21)20-7-3-13-33-20/h1,3,5-9,13-14,16H,2,4,10-12,15H2,(H,27,31).
What are the key properties of 1-(6-thiophen-2-ylpyridazin-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxamide?
1-(6-thiophen-2-ylpyridazin-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxamide has a molecular weight of 476.52 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-thiophen-2-ylpyridazin-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 121071369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).