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

C24H33N5O2 — CID 121053509

IUPAC(4-ethoxyphenyl)-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ccc(N4CCCCC4CC)nn3)CC2)cc1
InChIInChI=1S/C24H33N5O2/c1-3-20-7-5-6-14-29(20)23-13-12-22(25-26-23)27-15-17-28(18-16-27)24(30)19-8-10-21(11-9-19)31-4-2/h8-13,20H,3-7,14-18H2,1-2H3
InChIKeyIUHQMBHAIGTXOC-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.61
Rot. Bonds6

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

(4-ethoxyphenyl)-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 121053509) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID121053509
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name(4-ethoxyphenyl)-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ccc(N4CCCCC4CC)nn3)CC2)cc1
InChIInChI=1S/C24H33N5O2/c1-3-20-7-5-6-14-29(20)23-13-12-22(25-26-23)27-15-17-28(18-16-27)24(30)19-8-10-21(11-9-19)31-4-2/h8-13,20H,3-7,14-18H2,1-2H3
InChIKeyIUHQMBHAIGTXOC-UHFFFAOYSA-N
XLogP3.61
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-ethoxyphenyl)-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121053512
1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 121053530
(4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 71799903
[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124153
N-(4-ethoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335735
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
(4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 42110666
[4-(dimethylamino)phenyl]-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335819
(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292395
(4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421593
ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
CID 121206169
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053897

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 121053509) is (4-ethoxyphenyl)-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is CCOc1ccc(C(=O)N2CCN(c3ccc(N4CCCCC4CC)nn3)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is IUHQMBHAIGTXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-3-20-7-5-6-14-29(20)23-13-12-22(25-26-23)27-15-17-28(18-16-27)24(30)19-8-10-21(11-9-19)31-4-2/h8-13,20H,3-7,14-18H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
(4-ethoxyphenyl)-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 423.56 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121053509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).