1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one

C21H28N4O3 — CID 30773954

IUPAC1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one
SMILESCOCCOc1ccc(N2CCN(C(=O)CCCc3ccccc3)CC2)nn1
InChIInChI=1S/C21H28N4O3/c1-27-16-17-28-20-11-10-19(22-23-20)24-12-14-25(15-13-24)21(26)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-11H,5,8-9,12-17H2,1H3
InChIKeySNMOPJHLGGESPX-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.17
Rot. Bonds9

About 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one

1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one (PubChem CID 30773954) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one
PubChem CID30773954
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one
SMILESCOCCOc1ccc(N2CCN(C(=O)CCCc3ccccc3)CC2)nn1
InChIInChI=1S/C21H28N4O3/c1-27-16-17-28-20-11-10-19(22-23-20)24-12-14-25(15-13-24)21(26)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-11H,5,8-9,12-17H2,1H3
InChIKeySNMOPJHLGGESPX-UHFFFAOYSA-N
XLogP2.17
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 121053737
2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 30773941
cyclopropyl-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone
CID 30773847
1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 70702484
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 56699712
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 16883280
(3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone
CID 30773889
1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 16883534
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 56922896
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
CID 45284165
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 122334067
3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060327

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one (CID 30773954) is 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one is COCCOc1ccc(N2CCN(C(=O)CCCc3ccccc3)CC2)nn1.
What is the InChIKey of 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one?
The InChIKey is SNMOPJHLGGESPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-27-16-17-28-20-11-10-19(22-23-20)24-12-14-25(15-13-24)21(26)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-11H,5,8-9,12-17H2,1H3.
What are the key properties of 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one?
1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one has a molecular weight of 384.48 g/mol, XLogP of 2.17, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 30773954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).