2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide

C22H27N3O3 — CID 87014558

IUPAC2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCOc1ccccc1C(=O)N1CCN(CC(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C22H27N3O3/c1-3-28-20-11-7-5-9-18(20)22(27)25-14-12-24(13-15-25)16-21(26)23-19-10-6-4-8-17(19)2/h4-11H,3,12-16H2,1-2H3,(H,23,26)
InChIKeyXLIGIRGBYQKTOV-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.79
Rot. Bonds6

About 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide

2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 87014558) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID87014558
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCOc1ccccc1C(=O)N1CCN(CC(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C22H27N3O3/c1-3-28-20-11-7-5-9-18(20)22(27)25-14-12-24(13-15-25)16-21(26)23-19-10-6-4-8-17(19)2/h4-11H,3,12-16H2,1-2H3,(H,23,26)
InChIKeyXLIGIRGBYQKTOV-UHFFFAOYSA-N
XLogP2.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
N-(2,6-dimethylphenyl)-2-[4-(3-ethoxynaphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 17499597
2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 60503239
N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 3220803
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 24674493
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
N-(2,3-dimethylphenyl)-2-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9435359
N-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide
CID 32964591
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
ethyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8703709
[4-(2-bromoethyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 80661320
N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35204540

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide (CID 87014558) is 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide is CCOc1ccccc1C(=O)N1CCN(CC(=O)Nc2ccccc2C)CC1.
What is the InChIKey of 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is XLIGIRGBYQKTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-3-28-20-11-7-5-9-18(20)22(27)25-14-12-24(13-15-25)16-21(26)23-19-10-6-4-8-17(19)2/h4-11H,3,12-16H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 87014558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).