N-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide

C19H22N4O3 — CID 71708418

IUPACN-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide
SMILESCOc1ccc(N2CCC(C(=O)Nc3ccc(C(C)=O)cc3)CC2)nn1
InChIInChI=1S/C19H22N4O3/c1-13(24)14-3-5-16(6-4-14)20-19(25)15-9-11-23(12-10-15)17-7-8-18(26-2)22-21-17/h3-8,15H,9-12H2,1-2H3,(H,20,25)
InChIKeyNMHBMVKENSGQMO-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.54
Rot. Bonds5

About N-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide

N-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 71708418) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide
PubChem CID71708418
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide
SMILESCOc1ccc(N2CCC(C(=O)Nc3ccc(C(C)=O)cc3)CC2)nn1
InChIInChI=1S/C19H22N4O3/c1-13(24)14-3-5-16(6-4-14)20-19(25)15-9-11-23(12-10-15)17-7-8-18(26-2)22-21-17/h3-8,15H,9-12H2,1-2H3,(H,20,25)
InChIKeyNMHBMVKENSGQMO-UHFFFAOYSA-N
XLogP2.54
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 71709561
1-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 71702503
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520
N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025290
N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118787
N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30866725
methyl 2-[[4-[[1-(6-chloropyridazin-3-yl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate
CID 46587333
methyl 4-[[1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzoate
CID 30365220
N-(3,4-dichlorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118877
methyl 4-[[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 53170457
N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide
CID 53043464
cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883287

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide (CID 71708418) is N-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide is COc1ccc(N2CCC(C(=O)Nc3ccc(C(C)=O)cc3)CC2)nn1.
What is the InChIKey of N-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is NMHBMVKENSGQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13(24)14-3-5-16(6-4-14)20-19(25)15-9-11-23(12-10-15)17-7-8-18(26-2)22-21-17/h3-8,15H,9-12H2,1-2H3,(H,20,25).
What are the key properties of N-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide?
N-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 71708418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).