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

C24H27N5O3S — CID 121071786

IUPACN-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCC(=O)NCCOc1ccc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1
InChIInChI=1S/C24H27N5O3S/c1-17(30)25-12-15-32-20-6-4-19(5-7-20)26-24(31)18-10-13-29(14-11-18)23-9-8-21(27-28-23)22-3-2-16-33-22/h2-9,16,18H,10-15H2,1H3,(H,25,30)(H,26,31)
InChIKeyHGRKIKNOUMBWMR-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.58
Rot. Bonds8

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

N-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 121071786) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID121071786
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC NameN-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCC(=O)NCCOc1ccc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1
InChIInChI=1S/C24H27N5O3S/c1-17(30)25-12-15-32-20-6-4-19(5-7-20)26-24(31)18-10-13-29(14-11-18)23-9-8-21(27-28-23)22-3-2-16-33-22/h2-9,16,18H,10-15H2,1H3,(H,25,30)(H,26,31)
InChIKeyHGRKIKNOUMBWMR-UHFFFAOYSA-N
XLogP3.58
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-nitrophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364097
N-(3,5-dimethylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947260
N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071367
N-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071260
1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide
CID 121072092
N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947206
N-(4-methyl-2-pyridinyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947252
N-(2,3-dimethylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947220
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364184
N-[(4-chlorophenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947209
N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947338
N-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364155

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 121071786) is N-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide is CC(=O)NCCOc1ccc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1.
What is the InChIKey of N-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is HGRKIKNOUMBWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-17(30)25-12-15-32-20-6-4-19(5-7-20)26-24(31)18-10-13-29(14-11-18)23-9-8-21(27-28-23)22-3-2-16-33-22/h2-9,16,18H,10-15H2,1H3,(H,25,30)(H,26,31).
What are the key properties of N-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121071786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).