1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone

C23H31N5O2 — CID 121053530

IUPAC1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
SMILESCCC1CCCCN1c1ccc(N2CCN(C(=O)COc3ccccc3)CC2)nn1
InChIInChI=1S/C23H31N5O2/c1-2-19-8-6-7-13-28(19)22-12-11-21(24-25-22)26-14-16-27(17-15-26)23(29)18-30-20-9-4-3-5-10-20/h3-5,9-12,19H,2,6-8,13-18H2,1H3
InChIKeyNWURINBMOGLFRF-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.97
Rot. Bonds6

About 1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone

1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone (PubChem CID 121053530) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
PubChem CID121053530
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
SMILESCCC1CCCCN1c1ccc(N2CCN(C(=O)COc3ccccc3)CC2)nn1
InChIInChI=1S/C23H31N5O2/c1-2-19-8-6-7-13-28(19)22-12-11-21(24-25-22)26-14-16-27(17-15-26)23(29)18-30-20-9-4-3-5-10-20/h3-5,9-12,19H,2,6-8,13-18H2,1H3
InChIKeyNWURINBMOGLFRF-UHFFFAOYSA-N
XLogP2.97
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone 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-ethoxyphenyl)-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053509
2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122335790
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 121113684
[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124153
2-(4-methoxyphenoxy)-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334342
[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121053512
1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 56783112
N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 42850034
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971618
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110797836
2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121086814

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone (CID 121053530) is 1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone is CCC1CCCCN1c1ccc(N2CCN(C(=O)COc3ccccc3)CC2)nn1.
What is the InChIKey of 1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is NWURINBMOGLFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-2-19-8-6-7-13-28(19)22-12-11-21(24-25-22)26-14-16-27(17-15-26)23(29)18-30-20-9-4-3-5-10-20/h3-5,9-12,19H,2,6-8,13-18H2,1H3.
What are the key properties of 1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone?
1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 409.53 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 121053530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).