N-[1-(2-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide

C21H27N3O2 — CID 154834422

IUPACN-[1-(2-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide
SMILESCOc1ccccc1C(C)NC(=O)c1ccccc1N1CCN(C)CC1
InChIInChI=1S/C21H27N3O2/c1-16(17-8-5-7-11-20(17)26-3)22-21(25)18-9-4-6-10-19(18)24-14-12-23(2)13-15-24/h4-11,16H,12-15H2,1-3H3,(H,22,25)
InChIKeyUKOOGDVOWHLTAU-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.94
Rot. Bonds5

About N-[1-(2-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide

N-[1-(2-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide (PubChem CID 154834422) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide
PubChem CID154834422
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide
SMILESCOc1ccccc1C(C)NC(=O)c1ccccc1N1CCN(C)CC1
InChIInChI=1S/C21H27N3O2/c1-16(17-8-5-7-11-20(17)26-3)22-21(25)18-9-4-6-10-19(18)24-14-12-23(2)13-15-24/h4-11,16H,12-15H2,1-3H3,(H,22,25)
InChIKeyUKOOGDVOWHLTAU-UHFFFAOYSA-N
XLogP2.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81390779
N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
CID 78771297
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97313653
N-[1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 75461927
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 60512330
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 99645643
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 40817507
2-methoxy-N-[(1S,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 92665816
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869
1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 21404567

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide (CID 154834422) is N-[1-(2-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide is COc1ccccc1C(C)NC(=O)c1ccccc1N1CCN(C)CC1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is UKOOGDVOWHLTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(17-8-5-7-11-20(17)26-3)22-21(25)18-9-4-6-10-19(18)24-14-12-23(2)13-15-24/h4-11,16H,12-15H2,1-3H3,(H,22,25).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide?
N-[1-(2-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 154834422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).