3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one

C20H31N5O2 — CID 122355330

IUPAC3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C20H31N5O2/c26-20(6-5-17-3-1-2-4-17)25-9-7-24(8-10-25)19-15-18(16-21-22-19)23-11-13-27-14-12-23/h15-17H,1-14H2
InChIKeyZTSNAIBJMMHOTR-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.93
Rot. Bonds5

About 3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 122355330) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
PubChem CID122355330
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C20H31N5O2/c26-20(6-5-17-3-1-2-4-17)25-9-7-24(8-10-25)19-15-18(16-21-22-19)23-11-13-27-14-12-23/h15-17H,1-14H2
InChIKeyZTSNAIBJMMHOTR-UHFFFAOYSA-N
XLogP1.93
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 91968837
3-cyclohexyl-1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121090195
2-ethyl-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]butan-1-one
CID 122355568
5-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]piperidin-2-one
CID 122355421
2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 122355627
2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 122355628
2-(4-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 122355625
1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 122355652
3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 133489407
(4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 91968957
3-[3-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 122355430
3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 84577370

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one (CID 122355330) is 3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is ZTSNAIBJMMHOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c26-20(6-5-17-3-1-2-4-17)25-9-7-24(8-10-25)19-15-18(16-21-22-19)23-11-13-27-14-12-23/h15-17H,1-14H2.
What are the key properties of 3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one has a molecular weight of 373.50 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 122355330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).