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

C21H27N3O2 — CID 8592549

IUPACN-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2CCN(c3cccc(OC)c3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-3-17-6-4-7-18(14-17)22-21(25)16-23-10-12-24(13-11-23)19-8-5-9-20(15-19)26-2/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,22,25)
InChIKeyHCMGSVQQJGPIAG-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.02
Rot. Bonds6

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

N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 8592549) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID8592549
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2CCN(c3cccc(OC)c3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-3-17-6-4-7-18(14-17)22-21(25)16-23-10-12-24(13-11-23)19-8-5-9-20(15-19)26-2/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,22,25)
InChIKeyHCMGSVQQJGPIAG-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 2698418
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691104
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2698408
2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 35146831
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1443713
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487815
N-(3-chloro-4-cyanophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 2698398

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide (CID 8592549) is N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide is CCc1cccc(NC(=O)CN2CCN(c3cccc(OC)c3)CC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is HCMGSVQQJGPIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-17-6-4-7-18(14-17)22-21(25)16-23-10-12-24(13-11-23)19-8-5-9-20(15-19)26-2/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,22,25).
What are the key properties of N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8592549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).