3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

C18H22N4O3 — CID 110802732

IUPAC3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCN(C(=O)CCc3ccccc3)CC2)=NN1
InChIInChI=1S/C18H22N4O3/c23-16-8-7-15(19-20-16)18(25)22-12-10-21(11-13-22)17(24)9-6-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,20,23)
InChIKeyWIGHWLLSKKPVBT-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.56
Rot. Bonds4

About 3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 110802732) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID110802732
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCN(C(=O)CCc3ccccc3)CC2)=NN1
InChIInChI=1S/C18H22N4O3/c23-16-8-7-15(19-20-16)18(25)22-12-10-21(11-13-22)17(24)9-6-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,20,23)
InChIKeyWIGHWLLSKKPVBT-UHFFFAOYSA-N
XLogP0.56
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110757174
3-(4-benzylsulfonylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 9299103
3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 3974389
3-[4-[2-(3-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110809736
3-[4-(4-butylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110814673
3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43397830
3-[4-[2-(2-methylphenoxy)acetyl]-1,4-diazepane-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110809804
3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 9153300
3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110740947
3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110802367
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364923
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (CID 110802732) is 3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(C(=O)N2CCN(C(=O)CCc3ccccc3)CC2)=NN1.
What is the InChIKey of 3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is WIGHWLLSKKPVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-16-8-7-15(19-20-16)18(25)22-12-10-21(11-13-22)17(24)9-6-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,20,23).
What are the key properties of 3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 342.40 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 110802732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).