3-(3,4-dimethoxyphenyl)-5,5-diethyl-1-piperidin-4-yl-4H-pyridazin-6-one;hydrochloride

C21H32ClN3O3 — CID 68647583

IUPAC3-(3,4-dimethoxyphenyl)-5,5-diethyl-1-piperidin-4-yl-4H-pyridazin-6-one;hydrochloride
SMILESCCC1(CC)CC(c2ccc(OC)c(OC)c2)=NN(C2CCNCC2)C1=O.Cl
InChIInChI=1S/C21H31N3O3.ClH/c1-5-21(6-2)14-17(15-7-8-18(26-3)19(13-15)27-4)23-24(20(21)25)16-9-11-22-12-10-16;/h7-8,13,16,22H,5-6,9-12,14H2,1-4H3;1H
InChIKeyJBCPVKQLINMBDP-UHFFFAOYSA-N
MW409.96 g/mol
LogP3.62
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-5,5-diethyl-1-piperidin-4-yl-4H-pyridazin-6-one;hydrochloride

3-(3,4-dimethoxyphenyl)-5,5-diethyl-1-piperidin-4-yl-4H-pyridazin-6-one;hydrochloride (PubChem CID 68647583) has the molecular formula C21H32ClN3O3 and a molecular weight of 409.96 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5,5-diethyl-1-piperidin-4-yl-4H-pyridazin-6-one;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5,5-diethyl-1-piperidin-4-yl-4H-pyridazin-6-one;hydrochloride
PubChem CID68647583
Molecular FormulaC21H32ClN3O3
Molecular Weight409.96 g/mol
Exact Mass409.21
IUPAC Name3-(3,4-dimethoxyphenyl)-5,5-diethyl-1-piperidin-4-yl-4H-pyridazin-6-one;hydrochloride
SMILESCCC1(CC)CC(c2ccc(OC)c(OC)c2)=NN(C2CCNCC2)C1=O.Cl
InChIInChI=1S/C21H31N3O3.ClH/c1-5-21(6-2)14-17(15-7-8-18(26-3)19(13-15)27-4)23-24(20(21)25)16-9-11-22-12-10-16;/h7-8,13,16,22H,5-6,9-12,14H2,1-4H3;1H
InChIKeyJBCPVKQLINMBDP-UHFFFAOYSA-N
XLogP3.62
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dimethoxyphenyl)-5,5-diethyl-1-piperidin-4-yl-4H-pyridazin-6-one;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5,5-diethyl-1-piperidin-4-yl-4H-pyridazin-6-one;hydrochloride?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5,5-diethyl-1-piperidin-4-yl-4H-pyridazin-6-one;hydrochloride (CID 68647583) is 3-(3,4-dimethoxyphenyl)-5,5-diethyl-1-piperidin-4-yl-4H-pyridazin-6-one;hydrochloride.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5,5-diethyl-1-piperidin-4-yl-4H-pyridazin-6-one;hydrochloride?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5,5-diethyl-1-piperidin-4-yl-4H-pyridazin-6-one;hydrochloride is CCC1(CC)CC(c2ccc(OC)c(OC)c2)=NN(C2CCNCC2)C1=O.Cl.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5,5-diethyl-1-piperidin-4-yl-4H-pyridazin-6-one;hydrochloride?
The InChIKey is JBCPVKQLINMBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3.ClH/c1-5-21(6-2)14-17(15-7-8-18(26-3)19(13-15)27-4)23-24(20(21)25)16-9-11-22-12-10-16;/h7-8,13,16,22H,5-6,9-12,14H2,1-4H3;1H.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5,5-diethyl-1-piperidin-4-yl-4H-pyridazin-6-one;hydrochloride?
3-(3,4-dimethoxyphenyl)-5,5-diethyl-1-piperidin-4-yl-4H-pyridazin-6-one;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5,5-diethyl-1-piperidin-4-yl-4H-pyridazin-6-one;hydrochloride is sourced from PubChem (CID 68647583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).