N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide

C24H33N3O6 — CID 169439062

IUPACN-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
SMILESCOc1ccccc1OC[C@H](O)CN1CCN(CC(=O)Nc2c(OC)cccc2OC)CC1
InChIInChI=1S/C24H33N3O6/c1-30-19-7-4-5-8-20(19)33-17-18(28)15-26-11-13-27(14-12-26)16-23(29)25-24-21(31-2)9-6-10-22(24)32-3/h4-10,18,28H,11-17H2,1-3H3,(H,25,29)/t18-/m1/s1
InChIKeyJIMZHCFQUQMSGP-GOSISDBHSA-N
MW459.54 g/mol
LogP1.71
Rot. Bonds11

About N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide

N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide (PubChem CID 169439062) has the molecular formula C24H33N3O6 and a molecular weight of 459.54 g/mol. Its IUPAC name is N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
PubChem CID169439062
Molecular FormulaC24H33N3O6
Molecular Weight459.54 g/mol
Exact Mass459.24
IUPAC NameN-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
SMILESCOc1ccccc1OC[C@H](O)CN1CCN(CC(=O)Nc2c(OC)cccc2OC)CC1
InChIInChI=1S/C24H33N3O6/c1-30-19-7-4-5-8-20(19)33-17-18(28)15-26-11-13-27(14-12-26)16-23(29)25-24-21(31-2)9-6-10-22(24)32-3/h4-10,18,28H,11-17H2,1-3H3,(H,25,29)/t18-/m1/s1
InChIKeyJIMZHCFQUQMSGP-GOSISDBHSA-N
XLogP1.71
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2,3-dihydroxybutanedioic acid;N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 45280732
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[2-(trideuteriomethoxy)phenoxy]propyl]piperazin-1-yl]acetamide
CID 25160824
N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperazin-1-yl]acetamide
CID 169439064
N-(2,4-dimethylphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 102488561
N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide
CID 71044231
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2,3,4,5-tetradeuterio-6-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 25227266
1-(2,6-dimethylphenyl)-3-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one
CID 58160655
N-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 1439205
2-[4-[3,3-dideuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-N-(3,4,5-trideuterio-2,6-dimethylphenyl)acetamide
CID 25161205
2-[4-[1,1-dideuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-N-(3,4,5-trideuterio-2,6-dimethylphenyl)acetamide
CID 25160759
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperazin-1-yl]acetamide;molecular hydrogen
CID 162137892
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 30637665

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide (CID 169439062) is N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide is COc1ccccc1OC[C@H](O)CN1CCN(CC(=O)Nc2c(OC)cccc2OC)CC1.
What is the InChIKey of N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide?
The InChIKey is JIMZHCFQUQMSGP-GOSISDBHSA-N. The full InChI is InChI=1S/C24H33N3O6/c1-30-19-7-4-5-8-20(19)33-17-18(28)15-26-11-13-27(14-12-26)16-23(29)25-24-21(31-2)9-6-10-22(24)32-3/h4-10,18,28H,11-17H2,1-3H3,(H,25,29)/t18-/m1/s1.
What are the key properties of N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide?
N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide has a molecular weight of 459.54 g/mol, XLogP of 1.71, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 169439062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).