3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one

C18H28N4O — CID 133489407

IUPAC3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESCc1cc(N2CCN(C(=O)CCC3CCCC3)CC2)nnc1C
InChIInChI=1S/C18H28N4O/c1-14-13-17(20-19-15(14)2)21-9-11-22(12-10-21)18(23)8-7-16-5-3-4-6-16/h13,16H,3-12H2,1-2H3
InChIKeyIBZSBUCISLJKFB-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.71
Rot. Bonds4

About 3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 133489407) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one
PubChem CID133489407
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESCc1cc(N2CCN(C(=O)CCC3CCCC3)CC2)nnc1C
InChIInChI=1S/C18H28N4O/c1-14-13-17(20-19-15(14)2)21-9-11-22(12-10-21)18(23)8-7-16-5-3-4-6-16/h13,16H,3-12H2,1-2H3
InChIKeyIBZSBUCISLJKFB-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121060046
3-cyclopentyl-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122334043
2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol
CID 21077795
3-cyclopentyl-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122350751
3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 70703338
3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 5298372
3-cyclopentyl-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 122355330
3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 56699807
tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane
CID 143735501
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
3-cyclohexyl-1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121090195
3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 134021008

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one (CID 133489407) is 3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one is Cc1cc(N2CCN(C(=O)CCC3CCCC3)CC2)nnc1C.
What is the InChIKey of 3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is IBZSBUCISLJKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-14-13-17(20-19-15(14)2)21-9-11-22(12-10-21)18(23)8-7-16-5-3-4-6-16/h13,16H,3-12H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one has a molecular weight of 316.45 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 133489407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).