2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone

C21H27N5O2 — CID 122355628

IUPAC2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c1
InChIInChI=1S/C21H27N5O2/c1-17-3-2-4-18(13-17)14-21(27)26-7-5-24(6-8-26)19-15-20(23-22-16-19)25-9-11-28-12-10-25/h2-4,13,15-16H,5-12,14H2,1H3
InChIKeyQFUOBYBCFUASJH-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.51
Rot. Bonds4

About 2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone

2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone (PubChem CID 122355628) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
PubChem CID122355628
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c1
InChIInChI=1S/C21H27N5O2/c1-17-3-2-4-18(13-17)14-21(27)26-7-5-24(6-8-26)19-15-20(23-22-16-19)25-9-11-28-12-10-25/h2-4,13,15-16H,5-12,14H2,1H3
InChIKeyQFUOBYBCFUASJH-UHFFFAOYSA-N
XLogP1.51
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxy-3-methylphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122355410
1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 91968837
1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 122355652
2-(4-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 122355625
furan-2-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 91968843
(2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 91968809
(E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
CID 122355415
2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 13298536
2-ethyl-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]butan-1-one
CID 122355568
3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 122355330
2-(3-methylphenyl)-1-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]ethanone
CID 113079066
N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 91968888

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone (CID 122355628) is 2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone is Cc1cccc(CC(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is QFUOBYBCFUASJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-17-3-2-4-18(13-17)14-21(27)26-7-5-24(6-8-26)19-15-20(23-22-16-19)25-9-11-28-12-10-25/h2-4,13,15-16H,5-12,14H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone?
2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 381.48 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 122355628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).