[4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone

C17H20N4O2 — CID 70707188

IUPAC[4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone
SMILESO=C(c1cccnn1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C17H20N4O2/c22-17(16-7-4-8-18-19-16)21-11-9-20(10-12-21)13-14-23-15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyRFOZZFWTFBTLER-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.31
Rot. Bonds5

About [4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone

[4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone (PubChem CID 70707188) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone
PubChem CID70707188
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone
SMILESO=C(c1cccnn1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C17H20N4O2/c22-17(16-7-4-8-18-19-16)21-11-9-20(10-12-21)13-14-23-15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyRFOZZFWTFBTLER-UHFFFAOYSA-N
XLogP1.31
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 17455550
(2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 119946208
(2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 70726421
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855018
4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 87011077
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 17480273
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(5-methoxy-2-pyridinyl)methanone
CID 71724969
[4-(2-phenoxyethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 27846975
(5-chloro-1,3-dimethylpyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 24610345
[1-(oxolan-2-ylmethyl)triazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 45215826
4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid
CID 119134542

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone?
The IUPAC name of [4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone (CID 70707188) is [4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone.
What is the SMILES notation for [4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone?
The canonical SMILES for [4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone is O=C(c1cccnn1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of [4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone?
The InChIKey is RFOZZFWTFBTLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(16-7-4-8-18-19-16)21-11-9-20(10-12-21)13-14-23-15-5-2-1-3-6-15/h1-8H,9-14H2.
What are the key properties of [4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone?
[4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone has a molecular weight of 312.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone is sourced from PubChem (CID 70707188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).