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

C21H27N3O2 — CID 9257418

IUPACN-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(Cc3ccccc3C)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-17-6-3-4-7-18(17)15-23-10-12-24(13-11-23)16-21(25)22-19-8-5-9-20(14-19)26-2/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)
InChIKeyJYKZBMYKEYKDMB-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.76
Rot. Bonds6

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

N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 9257418) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID9257418
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(Cc3ccccc3C)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-17-6-3-4-7-18(17)15-23-10-12-24(13-11-23)16-21(25)22-19-8-5-9-20(14-19)26-2/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)
InChIKeyJYKZBMYKEYKDMB-UHFFFAOYSA-N
XLogP2.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 8596359
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 30735955
N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487815
2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 8719420
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8596439
N-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 35159364
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 31129825
N-(3-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5014292
N-(2,3-dimethylphenyl)-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 78795520

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 9257418) is N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide is COc1cccc(NC(=O)CN2CCN(Cc3ccccc3C)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is JYKZBMYKEYKDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17-6-3-4-7-18(17)15-23-10-12-24(13-11-23)16-21(25)22-19-8-5-9-20(14-19)26-2/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25).
What are the key properties of N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide?
N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9257418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).