2-[4-[3-(3,4-dimethoxyphenyl)-5,5-diethyl-6-oxo-4H-pyridazin-1-yl]piperidin-1-yl]acetamide;hydrochloride

C23H35ClN4O4 — CID 68647796

IUPAC2-[4-[3-(3,4-dimethoxyphenyl)-5,5-diethyl-6-oxo-4H-pyridazin-1-yl]piperidin-1-yl]acetamide;hydrochloride
SMILESCCC1(CC)CC(c2ccc(OC)c(OC)c2)=NN(C2CCN(CC(N)=O)CC2)C1=O.Cl
InChIInChI=1S/C23H34N4O4.ClH/c1-5-23(6-2)14-18(16-7-8-19(30-3)20(13-16)31-4)25-27(22(23)29)17-9-11-26(12-10-17)15-21(24)28;/h7-8,13,17H,5-6,9-12,14-15H2,1-4H3,(H2,24,28);1H
InChIKeyNWIBBCGBEKCANS-UHFFFAOYSA-N
MW467.01 g/mol
LogP2.82
Rot. Bonds8

About 2-[4-[3-(3,4-dimethoxyphenyl)-5,5-diethyl-6-oxo-4H-pyridazin-1-yl]piperidin-1-yl]acetamide;hydrochloride

2-[4-[3-(3,4-dimethoxyphenyl)-5,5-diethyl-6-oxo-4H-pyridazin-1-yl]piperidin-1-yl]acetamide;hydrochloride (PubChem CID 68647796) has the molecular formula C23H35ClN4O4 and a molecular weight of 467.01 g/mol. Its IUPAC name is 2-[4-[3-(3,4-dimethoxyphenyl)-5,5-diethyl-6-oxo-4H-pyridazin-1-yl]piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[3-(3,4-dimethoxyphenyl)-5,5-diethyl-6-oxo-4H-pyridazin-1-yl]piperidin-1-yl]acetamide;hydrochloride
PubChem CID68647796
Molecular FormulaC23H35ClN4O4
Molecular Weight467.01 g/mol
Exact Mass466.23
IUPAC Name2-[4-[3-(3,4-dimethoxyphenyl)-5,5-diethyl-6-oxo-4H-pyridazin-1-yl]piperidin-1-yl]acetamide;hydrochloride
SMILESCCC1(CC)CC(c2ccc(OC)c(OC)c2)=NN(C2CCN(CC(N)=O)CC2)C1=O.Cl
InChIInChI=1S/C23H34N4O4.ClH/c1-5-23(6-2)14-18(16-7-8-19(30-3)20(13-16)31-4)25-27(22(23)29)17-9-11-26(12-10-17)15-21(24)28;/h7-8,13,17H,5-6,9-12,14-15H2,1-4H3,(H2,24,28);1H
InChIKeyNWIBBCGBEKCANS-UHFFFAOYSA-N
XLogP2.82
TPSA97.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.01
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3,4-dimethoxyphenyl)-5,5-diethyl-6-oxo-4H-pyridazin-1-yl]piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of 2-[4-[3-(3,4-dimethoxyphenyl)-5,5-diethyl-6-oxo-4H-pyridazin-1-yl]piperidin-1-yl]acetamide;hydrochloride (CID 68647796) is 2-[4-[3-(3,4-dimethoxyphenyl)-5,5-diethyl-6-oxo-4H-pyridazin-1-yl]piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-[4-[3-(3,4-dimethoxyphenyl)-5,5-diethyl-6-oxo-4H-pyridazin-1-yl]piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for 2-[4-[3-(3,4-dimethoxyphenyl)-5,5-diethyl-6-oxo-4H-pyridazin-1-yl]piperidin-1-yl]acetamide;hydrochloride is CCC1(CC)CC(c2ccc(OC)c(OC)c2)=NN(C2CCN(CC(N)=O)CC2)C1=O.Cl.
What is the InChIKey of 2-[4-[3-(3,4-dimethoxyphenyl)-5,5-diethyl-6-oxo-4H-pyridazin-1-yl]piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is NWIBBCGBEKCANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4.ClH/c1-5-23(6-2)14-18(16-7-8-19(30-3)20(13-16)31-4)25-27(22(23)29)17-9-11-26(12-10-17)15-21(24)28;/h7-8,13,17H,5-6,9-12,14-15H2,1-4H3,(H2,24,28);1H.
What are the key properties of 2-[4-[3-(3,4-dimethoxyphenyl)-5,5-diethyl-6-oxo-4H-pyridazin-1-yl]piperidin-1-yl]acetamide;hydrochloride?
2-[4-[3-(3,4-dimethoxyphenyl)-5,5-diethyl-6-oxo-4H-pyridazin-1-yl]piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 467.01 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3,4-dimethoxyphenyl)-5,5-diethyl-6-oxo-4H-pyridazin-1-yl]piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 68647796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).