N-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methylbenzamide

C20H25N3O2 — CID 10382581

IUPACN-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methylbenzamide
SMILESCOc1ccccc1N1CCN(CNC(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C20H25N3O2/c1-16-6-5-7-17(14-16)20(24)21-15-22-10-12-23(13-11-22)18-8-3-4-9-19(18)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyJIXQPDNGVCMIOH-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.51
Rot. Bonds5

About N-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methylbenzamide

N-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methylbenzamide (PubChem CID 10382581) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methylbenzamide
PubChem CID10382581
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methylbenzamide
SMILESCOc1ccccc1N1CCN(CNC(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C20H25N3O2/c1-16-6-5-7-17(14-16)20(24)21-15-22-10-12-23(13-11-22)18-8-3-4-9-19(18)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyJIXQPDNGVCMIOH-UHFFFAOYSA-N
XLogP2.51
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methylbenzamide?
The IUPAC name of N-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methylbenzamide (CID 10382581) is N-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methylbenzamide.
What is the SMILES notation for N-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methylbenzamide?
The canonical SMILES for N-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methylbenzamide is COc1ccccc1N1CCN(CNC(=O)c2cccc(C)c2)CC1.
What is the InChIKey of N-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methylbenzamide?
The InChIKey is JIXQPDNGVCMIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-6-5-7-17(14-16)20(24)21-15-22-10-12-23(13-11-22)18-8-3-4-9-19(18)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24).
What are the key properties of N-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methylbenzamide?
N-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methylbenzamide is sourced from PubChem (CID 10382581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).