[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-pyridazin-4-ylmethanone

C16H17FN4O2 — CID 146075612

IUPAC[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-pyridazin-4-ylmethanone
SMILESCOc1cc(N2CCN(C(=O)c3ccnnc3)CC2)ccc1F
InChIInChI=1S/C16H17FN4O2/c1-23-15-10-13(2-3-14(15)17)20-6-8-21(9-7-20)16(22)12-4-5-18-19-11-12/h2-5,10-11H,6-9H2,1H3
InChIKeyIECGGDIXUVOQJT-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.59
Rot. Bonds3

About [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-pyridazin-4-ylmethanone

[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 146075612) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-pyridazin-4-ylmethanone
PubChem CID146075612
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-pyridazin-4-ylmethanone
SMILESCOc1cc(N2CCN(C(=O)c3ccnnc3)CC2)ccc1F
InChIInChI=1S/C16H17FN4O2/c1-23-15-10-13(2-3-14(15)17)20-6-8-21(9-7-20)16(22)12-4-5-18-19-11-12/h2-5,10-11H,6-9H2,1H3
InChIKeyIECGGDIXUVOQJT-UHFFFAOYSA-N
XLogP1.59
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-fluorophenyl)piperazino][1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanone
CID 2812819
1-(3-Methoxyphenyl)-4-(3-pyridinylcarbonyl)piperazine
CID 1245813
tert-butyl 4-{1-tert-butyl-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
CID 16023769
Piperazine, 1-(3-methoxyphenyl)-4-(3-pyridinylcarbonyl)-, dihydrochloride
CID 3079112
[(7R,8aS)-7-(3-fluorophenoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone
CID 97458472
6-Butyl-8-methoxy-pyridazino[3,4-b][1,5]benzoxazepin-5-one
CID 479743
Tert-butyl 4-[1-(3-fluorophenyl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrazol-5-YL]piperidine-1-carboxylate
CID 46281376
N-[(2,4-difluoro-6-methoxyphenyl)methyl]-N-(4-fluoro-2-methylphenyl)pyridazine-4-carboxamide
CID 25118641
(2-Fluoropyridin-3-yl)[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 70317774
N-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 91599715
2-(2,3-Dihydropyridin-5-yl)-5-[3-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
CID 146258492
1-[4-(3-Fluoro-5-methoxyphenyl)piperazine-1-carbonyl]-3-methylpyrido[3,4-d]pyridazin-4-one
CID 171630786

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-pyridazin-4-ylmethanone (CID 146075612) is [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-pyridazin-4-ylmethanone is COc1cc(N2CCN(C(=O)c3ccnnc3)CC2)ccc1F.
What is the InChIKey of [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is IECGGDIXUVOQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-23-15-10-13(2-3-14(15)17)20-6-8-21(9-7-20)16(22)12-4-5-18-19-11-12/h2-5,10-11H,6-9H2,1H3.
What are the key properties of [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-pyridazin-4-ylmethanone?
[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 316.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 146075612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).