6-cyclopropyl-2-[1-oxo-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-yl]pyridazin-3-one

C23H28N4O2 — CID 171137316

IUPAC6-cyclopropyl-2-[1-oxo-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-yl]pyridazin-3-one
SMILESCC(C(=O)N1CCN(CC=Cc2ccccc2)CC1)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C23H28N4O2/c1-18(27-22(28)12-11-21(24-27)20-9-10-20)23(29)26-16-14-25(15-17-26)13-5-8-19-6-3-2-4-7-19/h2-8,11-12,18,20H,9-10,13-17H2,1H3
InChIKeyKMLVVGRTJMGGJR-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.54
Rot. Bonds6

About 6-cyclopropyl-2-[1-oxo-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-yl]pyridazin-3-one

6-cyclopropyl-2-[1-oxo-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-yl]pyridazin-3-one (PubChem CID 171137316) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 6-cyclopropyl-2-[1-oxo-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[1-oxo-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-yl]pyridazin-3-one
PubChem CID171137316
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name6-cyclopropyl-2-[1-oxo-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-yl]pyridazin-3-one
SMILESCC(C(=O)N1CCN(CC=Cc2ccccc2)CC1)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C23H28N4O2/c1-18(27-22(28)12-11-21(24-27)20-9-10-20)23(29)26-16-14-25(15-17-26)13-5-8-19-6-3-2-4-7-19/h2-8,11-12,18,20H,9-10,13-17H2,1H3
InChIKeyKMLVVGRTJMGGJR-UHFFFAOYSA-N
XLogP2.54
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyl-2-[1-oxo-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-yl]pyridazin-3-one with MolForge

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Related Compounds

2-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 122246503
2-cyclopropyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 110414400
2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
CID 2301572
2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2838766
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043130
2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one
CID 6305993
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
4-tert-butyl-N-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]benzamide
CID 6067733
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 78087560
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[1-oxo-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-yl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[1-oxo-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-yl]pyridazin-3-one (CID 171137316) is 6-cyclopropyl-2-[1-oxo-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-yl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[1-oxo-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-yl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[1-oxo-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-yl]pyridazin-3-one is CC(C(=O)N1CCN(CC=Cc2ccccc2)CC1)n1nc(C2CC2)ccc1=O.
What is the InChIKey of 6-cyclopropyl-2-[1-oxo-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-yl]pyridazin-3-one?
The InChIKey is KMLVVGRTJMGGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-18(27-22(28)12-11-21(24-27)20-9-10-20)23(29)26-16-14-25(15-17-26)13-5-8-19-6-3-2-4-7-19/h2-8,11-12,18,20H,9-10,13-17H2,1H3.
What are the key properties of 6-cyclopropyl-2-[1-oxo-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-yl]pyridazin-3-one?
6-cyclopropyl-2-[1-oxo-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-yl]pyridazin-3-one has a molecular weight of 392.50 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[1-oxo-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-yl]pyridazin-3-one is sourced from PubChem (CID 171137316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).