N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-2-(1,3,5,6-tetrahydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetamide

C24H34N4O6 — CID 91281800

IUPACN-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-2-(1,3,5,6-tetrahydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetamide
SMILESCCOc1ccccc1N1CCN(CCNC(=O)Cn2c(O)c3c(c2O)CC(O)C(O)C3)CC1
InChIInChI=1S/C24H34N4O6/c1-2-34-21-6-4-3-5-18(21)27-11-9-26(10-12-27)8-7-25-22(31)15-28-23(32)16-13-19(29)20(30)14-17(16)24(28)33/h3-6,19-20,29-30,32-33H,2,7-15H2,1H3,(H,25,31)
InChIKeyJUNNKWBGJOVSOR-UHFFFAOYSA-N
MW474.56 g/mol
LogP0.06
Rot. Bonds8

About N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-2-(1,3,5,6-tetrahydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetamide

N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-2-(1,3,5,6-tetrahydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetamide (PubChem CID 91281800) has the molecular formula C24H34N4O6 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-2-(1,3,5,6-tetrahydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-2-(1,3,5,6-tetrahydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetamide
PubChem CID91281800
Molecular FormulaC24H34N4O6
Molecular Weight474.56 g/mol
Exact Mass474.25
IUPAC NameN-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-2-(1,3,5,6-tetrahydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetamide
SMILESCCOc1ccccc1N1CCN(CCNC(=O)Cn2c(O)c3c(c2O)CC(O)C(O)C3)CC1
InChIInChI=1S/C24H34N4O6/c1-2-34-21-6-4-3-5-18(21)27-11-9-26(10-12-27)8-7-25-22(31)15-28-23(32)16-13-19(29)20(30)14-17(16)24(28)33/h3-6,19-20,29-30,32-33H,2,7-15H2,1H3,(H,25,31)
InChIKeyJUNNKWBGJOVSOR-UHFFFAOYSA-N
XLogP0.06
TPSA130.66 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 50.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490
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CID 127042300
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 86795517
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368
2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethyl]acetamide;sulfuric acid
CID 70162263
N-(4-acetylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703707
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 135119537
2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266897
3-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 110185748
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703505
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78782303
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 78815634

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-2-(1,3,5,6-tetrahydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetamide?
The IUPAC name of N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-2-(1,3,5,6-tetrahydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetamide (CID 91281800) is N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-2-(1,3,5,6-tetrahydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetamide.
What is the SMILES notation for N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-2-(1,3,5,6-tetrahydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetamide?
The canonical SMILES for N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-2-(1,3,5,6-tetrahydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetamide is CCOc1ccccc1N1CCN(CCNC(=O)Cn2c(O)c3c(c2O)CC(O)C(O)C3)CC1.
What is the InChIKey of N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-2-(1,3,5,6-tetrahydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetamide?
The InChIKey is JUNNKWBGJOVSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O6/c1-2-34-21-6-4-3-5-18(21)27-11-9-26(10-12-27)8-7-25-22(31)15-28-23(32)16-13-19(29)20(30)14-17(16)24(28)33/h3-6,19-20,29-30,32-33H,2,7-15H2,1H3,(H,25,31).
What are the key properties of N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-2-(1,3,5,6-tetrahydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetamide?
N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-2-(1,3,5,6-tetrahydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetamide has a molecular weight of 474.56 g/mol, XLogP of 0.06, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-2-(1,3,5,6-tetrahydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetamide is sourced from PubChem (CID 91281800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).