(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone

C18H20N4O2 — CID 146084360

IUPAC(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3ccnnc3)CC2)cc1
InChIInChI=1S/C18H20N4O2/c1-2-14-3-5-15(6-4-14)17(23)21-9-11-22(12-10-21)18(24)16-7-8-19-20-13-16/h3-8,13H,2,9-12H2,1H3
InChIKeySECNBTAPGCCNPD-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.64
Rot. Bonds3

About (4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone

(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 146084360) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
PubChem CID146084360
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3ccnnc3)CC2)cc1
InChIInChI=1S/C18H20N4O2/c1-2-14-3-5-15(6-4-14)17(23)21-9-11-22(12-10-21)18(24)16-7-8-19-20-13-16/h3-8,13H,2,9-12H2,1H3
InChIKeySECNBTAPGCCNPD-UHFFFAOYSA-N
XLogP1.64
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 32772858
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
(4-ethylphenyl)-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 138995245
2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975159
2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone
CID 136517874
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 63340870
[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 46592446
[4-[4-(difluoromethylsulfanyl)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32772704
(4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone
CID 33168964

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone (CID 146084360) is (4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(C(=O)c3ccnnc3)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is SECNBTAPGCCNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-14-3-5-15(6-4-14)17(23)21-9-11-22(12-10-21)18(24)16-7-8-19-20-13-16/h3-8,13H,2,9-12H2,1H3.
What are the key properties of (4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone?
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 324.38 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 146084360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).