3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide

C22H27N3O3 — CID 108944636

IUPAC3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide
SMILESCCN1CCN(C(=O)CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O3/c1-2-24-12-14-25(15-13-24)22(27)16-21(26)23-19-8-10-20(11-9-19)28-17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,23,26)
InChIKeyJEYMKCDFXPJADB-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.76
Rot. Bonds7

About 3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide

3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 108944636) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID108944636
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide
SMILESCCN1CCN(C(=O)CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O3/c1-2-24-12-14-25(15-13-24)22(27)16-21(26)23-19-8-10-20(11-9-19)28-17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,23,26)
InChIKeyJEYMKCDFXPJADB-UHFFFAOYSA-N
XLogP2.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide
CID 108944606
3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide
CID 574794
4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 108988713
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942054
ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
CID 4947468
N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide
CID 113000427
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 16597782
N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide
CID 108951508
methyl 2-[[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108944622
2-(4-aminopiperidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119907132
N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950910

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide (CID 108944636) is 3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide is CCN1CCN(C(=O)CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is JEYMKCDFXPJADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-24-12-14-25(15-13-24)22(27)16-21(26)23-19-8-10-20(11-9-19)28-17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,23,26).
What are the key properties of 3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide?
3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 381.48 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 108944636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).