[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone

C17H20N4O2 — CID 110705277

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(C)nn3)CC2)cc1
InChIInChI=1S/C17H20N4O2/c1-13-3-8-16(19-18-13)17(22)21-11-9-20(10-12-21)14-4-6-15(23-2)7-5-14/h3-8H,9-12H2,1-2H3
InChIKeySWOXBIZBFKWYGD-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.76
Rot. Bonds3

About [4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone (PubChem CID 110705277) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone
PubChem CID110705277
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(C)nn3)CC2)cc1
InChIInChI=1S/C17H20N4O2/c1-13-3-8-16(19-18-13)17(22)21-11-9-20(10-12-21)14-4-6-15(23-2)7-5-14/h3-8H,9-12H2,1-2H3
InChIKeySWOXBIZBFKWYGD-UHFFFAOYSA-N
XLogP1.76
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111969
[6-(cyclopentylamino)pyridazin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109112159
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184633
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate
CID 110705248
[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 18192931
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203696
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147289
[4-(4-methoxyphenyl)piperazin-1-yl]-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318950
(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 23859628
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone (CID 110705277) is [4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone is COc1ccc(N2CCN(C(=O)c3ccc(C)nn3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone?
The InChIKey is SWOXBIZBFKWYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13-3-8-16(19-18-13)17(22)21-11-9-20(10-12-21)14-4-6-15(23-2)7-5-14/h3-8H,9-12H2,1-2H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone is sourced from PubChem (CID 110705277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).