3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide

C24H33N3O2 — CID 109025241

IUPAC3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCN1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C24H33N3O2/c1-19-7-6-9-22(20(19)2)27-17-15-26(16-18-27)14-12-24(28)25-13-11-21-8-4-5-10-23(21)29-3/h4-10H,11-18H2,1-3H3,(H,25,28)
InChIKeyACAJOXWNTIXFAG-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.18
Rot. Bonds8

About 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide

3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 109025241) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
PubChem CID109025241
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCN1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C24H33N3O2/c1-19-7-6-9-22(20(19)2)27-17-15-26(16-18-27)14-12-24(28)25-13-11-21-8-4-5-10-23(21)29-3/h4-10H,11-18H2,1-3H3,(H,25,28)
InChIKeyACAJOXWNTIXFAG-UHFFFAOYSA-N
XLogP3.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109018289
N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109025259
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 42857988
N-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 174547931
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide
CID 63570945
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 109019781
N-[(2-fluorophenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109020713
2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
CID 72548353
N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 34207696
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 8549824
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108530720
N-[2-(2-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108900383

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide (CID 109025241) is 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1CCNC(=O)CCN1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is ACAJOXWNTIXFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-19-7-6-9-22(20(19)2)27-17-15-26(16-18-27)14-12-24(28)25-13-11-21-8-4-5-10-23(21)29-3/h4-10H,11-18H2,1-3H3,(H,25,28).
What are the key properties of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide?
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 395.55 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 109025241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).