N-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide;dihydrochloride

C25H35Cl2N3O7 — CID 3050698

IUPACN-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide;dihydrochloride
SMILESCOc1cc(NC(=O)CN2CCN(CC(=O)c3c(OC)cc(OC)cc3OC)CC2)cc(OC)c1.Cl.Cl
InChIInChI=1S/C25H33N3O7.2ClH/c1-31-18-10-17(11-19(12-18)32-2)26-24(30)16-28-8-6-27(7-9-28)15-21(29)25-22(34-4)13-20(33-3)14-23(25)35-5;;/h10-14H,6-9,15-16H2,1-5H3,(H,26,30);2*1H
InChIKeyIUOQTRBFJFRKGM-UHFFFAOYSA-N
MW560.48 g/mol
LogP3.01
Rot. Bonds11

About N-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide;dihydrochloride

N-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide;dihydrochloride (PubChem CID 3050698) has the molecular formula C25H35Cl2N3O7 and a molecular weight of 560.48 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide;dihydrochloride
PubChem CID3050698
Molecular FormulaC25H35Cl2N3O7
Molecular Weight560.48 g/mol
Exact Mass559.19
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide;dihydrochloride
SMILESCOc1cc(NC(=O)CN2CCN(CC(=O)c3c(OC)cc(OC)cc3OC)CC2)cc(OC)c1.Cl.Cl
InChIInChI=1S/C25H33N3O7.2ClH/c1-31-18-10-17(11-19(12-18)32-2)26-24(30)16-28-8-6-27(7-9-28)15-21(29)25-22(34-4)13-20(33-3)14-23(25)35-5;;/h10-14H,6-9,15-16H2,1-5H3,(H,26,30);2*1H
InChIKeyIUOQTRBFJFRKGM-UHFFFAOYSA-N
XLogP3.01
TPSA98.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 93191529
N-(3,5-dimethoxyphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33074129
N-(3,5-dimethoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 31129802
2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 20970572
N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3243841
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
N-(3,5-dimethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 15995513
2-[4-(3-oxopropyl)piperazin-1-yl]-N-(2,4,6-trimethoxyphenyl)acetamide
CID 87851422
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
N-(3,5-dimethoxyphenyl)-2-[3-(fluoromethyl)piperidin-1-yl]acetamide
CID 171337842
N-(3,5-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 6457503

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide;dihydrochloride (CID 3050698) is N-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide;dihydrochloride is COc1cc(NC(=O)CN2CCN(CC(=O)c3c(OC)cc(OC)cc3OC)CC2)cc(OC)c1.Cl.Cl.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is IUOQTRBFJFRKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O7.2ClH/c1-31-18-10-17(11-19(12-18)32-2)26-24(30)16-28-8-6-27(7-9-28)15-21(29)25-22(34-4)13-20(33-3)14-23(25)35-5;;/h10-14H,6-9,15-16H2,1-5H3,(H,26,30);2*1H.
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide;dihydrochloride?
N-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 560.48 g/mol, XLogP of 3.01, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 3050698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).