2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone

C17H18N4O2 — CID 136517874

IUPAC2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)c2ccnnc2)CC1
InChIInChI=1S/C17H18N4O2/c22-16(12-14-4-2-1-3-5-14)20-8-10-21(11-9-20)17(23)15-6-7-18-19-13-15/h1-7,13H,8-12H2
InChIKeyWQZPQSKNNUECBY-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.00
Rot. Bonds3

About 2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone

2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 136517874) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID136517874
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)c2ccnnc2)CC1
InChIInChI=1S/C17H18N4O2/c22-16(12-14-4-2-1-3-5-14)20-8-10-21(11-9-20)17(23)15-6-7-18-19-13-15/h1-7,13H,8-12H2
InChIKeyWQZPQSKNNUECBY-UHFFFAOYSA-N
XLogP1.00
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 108534758
1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 108534759
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone
CID 110364856
2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110818393
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
2-phenyl-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110808251
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
1-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545580
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 110802073

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone (CID 136517874) is 2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCN(C(=O)c2ccnnc2)CC1.
What is the InChIKey of 2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is WQZPQSKNNUECBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-16(12-14-4-2-1-3-5-14)20-8-10-21(11-9-20)17(23)15-6-7-18-19-13-15/h1-7,13H,8-12H2.
What are the key properties of 2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone?
2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 310.36 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 136517874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).