N-(2-methoxyphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide

C23H33N3O5+2 — CID 9127591

IUPACN-(2-methoxyphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)C[NH+]1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1
InChIInChI=1S/C23H31N3O5/c1-28-19-8-6-5-7-18(19)24-21(27)16-26-13-11-25(12-14-26)15-17-9-10-20(29-2)23(31-4)22(17)30-3/h5-10H,11-16H2,1-4H3,(H,24,27)/p+2
InChIKeyCFWICWGFLWNWMY-UHFFFAOYSA-P
MW431.53 g/mol
LogP-0.36
Rot. Bonds9

About N-(2-methoxyphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide

N-(2-methoxyphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide (PubChem CID 9127591) has the molecular formula C23H33N3O5+2 and a molecular weight of 431.53 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
PubChem CID9127591
Molecular FormulaC23H33N3O5+2
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC NameN-(2-methoxyphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)C[NH+]1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1
InChIInChI=1S/C23H31N3O5/c1-28-19-8-6-5-7-18(19)24-21(27)16-26-13-11-25(12-14-26)15-17-9-10-20(29-2)23(31-4)22(17)30-3/h5-10H,11-16H2,1-4H3,(H,24,27)/p+2
InChIKeyCFWICWGFLWNWMY-UHFFFAOYSA-P
XLogP-0.36
TPSA74.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9127637
2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9127902
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 9436485
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide
CID 8795376
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 8721026
tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetate
CID 9127700
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-naphthalen-1-ylacetamide
CID 8721012
1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 9127804
1-[(2-chlorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4755120
N-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 7738758
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 8721068
N-(2-cyanophenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8721004

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide (CID 9127591) is N-(2-methoxyphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide is COc1ccccc1NC(=O)C[NH+]1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide?
The InChIKey is CFWICWGFLWNWMY-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H31N3O5/c1-28-19-8-6-5-7-18(19)24-21(27)16-26-13-11-25(12-14-26)15-17-9-10-20(29-2)23(31-4)22(17)30-3/h5-10H,11-16H2,1-4H3,(H,24,27)/p+2.
What are the key properties of N-(2-methoxyphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide?
N-(2-methoxyphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 431.53 g/mol, XLogP of -0.36, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 9127591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).