[3-(difluoromethoxy)phenyl]-[4-(6-propan-2-ylpyridazin-3-yl)piperazin-1-yl]methanone

C19H22F2N4O2 — CID 167779887

IUPAC[3-(difluoromethoxy)phenyl]-[4-(6-propan-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCC(C)c1ccc(N2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)nn1
InChIInChI=1S/C19H22F2N4O2/c1-13(2)16-6-7-17(23-22-16)24-8-10-25(11-9-24)18(26)14-4-3-5-15(12-14)27-19(20)21/h3-7,12-13,19H,8-11H2,1-2H3
InChIKeyOEMGSQXTKWAPNU-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.16
Rot. Bonds5

About [3-(difluoromethoxy)phenyl]-[4-(6-propan-2-ylpyridazin-3-yl)piperazin-1-yl]methanone

[3-(difluoromethoxy)phenyl]-[4-(6-propan-2-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 167779887) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-[4-(6-propan-2-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-[4-(6-propan-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID167779887
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name[3-(difluoromethoxy)phenyl]-[4-(6-propan-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCC(C)c1ccc(N2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)nn1
InChIInChI=1S/C19H22F2N4O2/c1-13(2)16-6-7-17(23-22-16)24-8-10-25(11-9-24)18(26)14-4-3-5-15(12-14)27-19(20)21/h3-7,12-13,19H,8-11H2,1-2H3
InChIKeyOEMGSQXTKWAPNU-UHFFFAOYSA-N
XLogP3.16
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(difluoromethoxy)phenyl]-[4-(6-propan-2-ylpyridazin-3-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[3-(difluoromethoxy)phenyl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 18289174
(3-methoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292475
[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 121038204
[3-(difluoromethoxy)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 2312190
[3-(4-fluorophenoxy)phenyl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334469
N-[1-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 42944621
1-[4-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 18120080
[4-(1-bromoethyl)piperidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 106839146
[3-(difluoromethoxy)phenyl]-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 70707236
[4-(2-chloroethyl)piperazin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 63395341
(3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42065406
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone
CID 122334178

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-[4-(6-propan-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of [3-(difluoromethoxy)phenyl]-[4-(6-propan-2-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 167779887) is [3-(difluoromethoxy)phenyl]-[4-(6-propan-2-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-[4-(6-propan-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-[4-(6-propan-2-ylpyridazin-3-yl)piperazin-1-yl]methanone is CC(C)c1ccc(N2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)nn1.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-[4-(6-propan-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is OEMGSQXTKWAPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-13(2)16-6-7-17(23-22-16)24-8-10-25(11-9-24)18(26)14-4-3-5-15(12-14)27-19(20)21/h3-7,12-13,19H,8-11H2,1-2H3.
What are the key properties of [3-(difluoromethoxy)phenyl]-[4-(6-propan-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
[3-(difluoromethoxy)phenyl]-[4-(6-propan-2-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 376.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]-[4-(6-propan-2-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 167779887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).