2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone

C20H24FN5O3 — CID 122355627

IUPAC2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C20H24FN5O3/c21-16-1-3-18(4-2-16)29-15-20(27)26-7-5-24(6-8-26)17-13-19(23-22-14-17)25-9-11-28-12-10-25/h1-4,13-14H,5-12,15H2
InChIKeySTCGMELFLNQKSS-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.18
Rot. Bonds5

About 2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone

2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone (PubChem CID 122355627) has the molecular formula C20H24FN5O3 and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
PubChem CID122355627
Molecular FormulaC20H24FN5O3
Molecular Weight401.44 g/mol
Exact Mass401.19
IUPAC Name2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C20H24FN5O3/c21-16-1-3-18(4-2-16)29-15-20(27)26-7-5-24(6-8-26)17-13-19(23-22-14-17)25-9-11-28-12-10-25/h1-4,13-14H,5-12,15H2
InChIKeySTCGMELFLNQKSS-UHFFFAOYSA-N
XLogP1.18
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 122355625
1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 91968837
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 27125800
3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 122355330
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 17193886
(E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
CID 122355415
2-(4-fluorophenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 110727442
2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 122355628
5-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662250
2-ethyl-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]butan-1-one
CID 122355568
2-(4-methoxy-3-methylphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122355410
N-[3-(difluoromethoxy)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
CID 122355584

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone (CID 122355627) is 2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone is O=C(COc1ccc(F)cc1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is STCGMELFLNQKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O3/c21-16-1-3-18(4-2-16)29-15-20(27)26-7-5-24(6-8-26)17-13-19(23-22-14-17)25-9-11-28-12-10-25/h1-4,13-14H,5-12,15H2.
What are the key properties of 2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone?
2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 401.44 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 122355627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).