3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one

C23H30N4O — CID 121060046

IUPAC3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCc1ccccc1-c1ccc(N2CCN(C(=O)CCC3CCCC3)CC2)nn1
InChIInChI=1S/C23H30N4O/c1-18-6-2-5-9-20(18)21-11-12-22(25-24-21)26-14-16-27(17-15-26)23(28)13-10-19-7-3-4-8-19/h2,5-6,9,11-12,19H,3-4,7-8,10,13-17H2,1H3
InChIKeyXTTFFUPCXISOAL-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.07
Rot. Bonds5

About 3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 121060046) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
PubChem CID121060046
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCc1ccccc1-c1ccc(N2CCN(C(=O)CCC3CCCC3)CC2)nn1
InChIInChI=1S/C23H30N4O/c1-18-6-2-5-9-20(18)21-11-12-22(25-24-21)26-14-16-27(17-15-26)23(28)13-10-19-7-3-4-8-19/h2,5-6,9,11-12,19H,3-4,7-8,10,13-17H2,1H3
InChIKeyXTTFFUPCXISOAL-UHFFFAOYSA-N
XLogP4.07
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 121060031
3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 134021008
3-cyclopentyl-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122334043
3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 133489407
3-cyclopentyl-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122350751
1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone
CID 121060095
1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 121060009
6-methyl-3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121060045
N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363619
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 121071841
3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one
CID 121060067
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30363605

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one (CID 121060046) is 3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one is Cc1ccccc1-c1ccc(N2CCN(C(=O)CCC3CCCC3)CC2)nn1.
What is the InChIKey of 3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is XTTFFUPCXISOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-18-6-2-5-9-20(18)21-11-12-22(25-24-21)26-14-16-27(17-15-26)23(28)13-10-19-7-3-4-8-19/h2,5-6,9,11-12,19H,3-4,7-8,10,13-17H2,1H3.
What are the key properties of 3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 378.52 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 121060046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).