N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide

C18H23N5O3 — CID 171998493

IUPACN-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3cnn(C)c(=O)c3)CC2)cc1
InChIInChI=1S/C18H23N5O3/c1-21-18(25)11-15(12-19-21)23-9-7-22(8-10-23)13-17(24)20-14-3-5-16(26-2)6-4-14/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,24)
InChIKeyIQGRSKABHPTPFR-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.55
Rot. Bonds5

About N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide

N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide (PubChem CID 171998493) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
PubChem CID171998493
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3cnn(C)c(=O)c3)CC2)cc1
InChIInChI=1S/C18H23N5O3/c1-21-18(25)11-15(12-19-21)23-9-7-22(8-10-23)13-17(24)20-14-3-5-16(26-2)6-4-14/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,24)
InChIKeyIQGRSKABHPTPFR-UHFFFAOYSA-N
XLogP0.55
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171998509
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 175651502
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680478
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 18126812
N-(2,5-dimethylphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 171998269
N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6465380
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 1374681
N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 17132212
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
dimethyl 5-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 22198635
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide (CID 171998493) is N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCN(c3cnn(C)c(=O)c3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is IQGRSKABHPTPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-21-18(25)11-15(12-19-21)23-9-7-22(8-10-23)13-17(24)20-14-3-5-16(26-2)6-4-14/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,24).
What are the key properties of N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide?
N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 171998493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).