2-(3-morpholin-4-ylpropyl)-5-piperidin-1-ylpyridazin-3-one

C16H26N4O2 — CID 28786546

IUPAC2-(3-morpholin-4-ylpropyl)-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1CCCN1CCOCC1
InChIInChI=1S/C16H26N4O2/c21-16-13-15(19-6-2-1-3-7-19)14-17-20(16)8-4-5-18-9-11-22-12-10-18/h13-14H,1-12H2
InChIKeyGNNKGXGUDAYRAX-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.96
Rot. Bonds5

About 2-(3-morpholin-4-ylpropyl)-5-piperidin-1-ylpyridazin-3-one

2-(3-morpholin-4-ylpropyl)-5-piperidin-1-ylpyridazin-3-one (PubChem CID 28786546) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropyl)-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropyl)-5-piperidin-1-ylpyridazin-3-one
PubChem CID28786546
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-(3-morpholin-4-ylpropyl)-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1CCCN1CCOCC1
InChIInChI=1S/C16H26N4O2/c21-16-13-15(19-6-2-1-3-7-19)14-17-20(16)8-4-5-18-9-11-22-12-10-18/h13-14H,1-12H2
InChIKeyGNNKGXGUDAYRAX-UHFFFAOYSA-N
XLogP0.96
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethylbutyl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 56912171
2-[2-[2-(Aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one
CID 72893567
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 53202089
2-Methyl-5-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202128
5-[4-(morpholinocarbonyl)piperidino]-2-propyl-3(2H)-pyridazinone
CID 53202212
2-(4-Morpholin-4-ylbutyl)-4-piperidin-1-ylpyridazin-3-one
CID 156499580
5-(4-methyl-1,4-diazepan-1-yl)-2-[2-(4-morpholinyl)ethyl]-3(2H)-pyridazinone
CID 28099823
5-{4-[2,2-dimethyl-3-(4-morpholinyl)propyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 28909996
2-(2-ethoxyethyl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 56900434
2-methyl-5-(2-{2-[(1-methyl-4-piperidinyl)amino]ethyl}-4-morpholinyl)-3(2H)-pyridazinone
CID 70716614
5-(2-{2-[(1-ethyl-4-piperidinyl)amino]ethyl}-4-morpholinyl)-2-methyl-3(2H)-pyridazinone
CID 70745769
5-(2-{2-[(1-acetyl-4-piperidinyl)amino]ethyl}-4-morpholinyl)-2-methyl-3(2H)-pyridazinone
CID 70787066

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropyl)-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(3-morpholin-4-ylpropyl)-5-piperidin-1-ylpyridazin-3-one (CID 28786546) is 2-(3-morpholin-4-ylpropyl)-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(3-morpholin-4-ylpropyl)-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(3-morpholin-4-ylpropyl)-5-piperidin-1-ylpyridazin-3-one is O=c1cc(N2CCCCC2)cnn1CCCN1CCOCC1.
What is the InChIKey of 2-(3-morpholin-4-ylpropyl)-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is GNNKGXGUDAYRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-16-13-15(19-6-2-1-3-7-19)14-17-20(16)8-4-5-18-9-11-22-12-10-18/h13-14H,1-12H2.
What are the key properties of 2-(3-morpholin-4-ylpropyl)-5-piperidin-1-ylpyridazin-3-one?
2-(3-morpholin-4-ylpropyl)-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 306.41 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropyl)-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 28786546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).