5-[4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-1-yl]-2-methylpyridazin-3-one

C18H31N5O2 — CID 28909996

IUPAC5-[4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(CC(C)(C)CN3CCOCC3)CC2)cc1=O
InChIInChI=1S/C18H31N5O2/c1-18(2,15-22-8-10-25-11-9-22)14-21-4-6-23(7-5-21)16-12-17(24)20(3)19-13-16/h12-13H,4-11,14-15H2,1-3H3
InChIKeyQHZPEBNGQLQNIP-UHFFFAOYSA-N
MW349.48 g/mol
LogP0.26
Rot. Bonds5

About 5-[4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 28909996) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 5-[4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID28909996
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name5-[4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(CC(C)(C)CN3CCOCC3)CC2)cc1=O
InChIInChI=1S/C18H31N5O2/c1-18(2,15-22-8-10-25-11-9-22)14-21-4-6-23(7-5-21)16-12-17(24)20(3)19-13-16/h12-13H,4-11,14-15H2,1-3H3
InChIKeyQHZPEBNGQLQNIP-UHFFFAOYSA-N
XLogP0.26
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,2-Difluoroethyl)-5-{4-[2-(morpholin-4-yl)-2-oxoethyl]piperazin-1-yl}-2,3-dihydropyridazin-3-one
CID 172880981
5-(4-methyl-1,4-diazepan-1-yl)-2-[2-(4-morpholinyl)ethyl]-3(2H)-pyridazinone
CID 28099823
5-(dimethylamino)-2-[2-(4-morpholinyl)ethyl]-3(2H)-pyridazinone
CID 28311086
2-[3-(4-morpholinyl)propyl]-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 28786546
2-[2-(1-Methylpiperidin-2-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 86284677
2-methyl-5-[4-(morpholin-4-ylacetyl)piperazin-1-yl]pyridazin-3(2H)-one
CID 91782559
5-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-2-methylpyridazin-3(2H)-one
CID 91836971
5-Morpholin-4-yl-2-(2-piperazin-1-ylethyl)pyridazin-3-one
CID 114395890
5-(4-Methylpiperazin-1-yl)-2-(morpholin-2-ylmethyl)pyridazin-3-one
CID 114395910
2-(3-Azidopropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114396842
2-(3-Azidopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 114396856
2-(2-Azidoethyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 114396857

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-1-yl]-2-methylpyridazin-3-one (CID 28909996) is 5-[4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-1-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCN(CC(C)(C)CN3CCOCC3)CC2)cc1=O.
What is the InChIKey of 5-[4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is QHZPEBNGQLQNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-18(2,15-22-8-10-25-11-9-22)14-21-4-6-23(7-5-21)16-12-17(24)20(3)19-13-16/h12-13H,4-11,14-15H2,1-3H3.
What are the key properties of 5-[4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 349.48 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 28909996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).