3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide

C17H25N3O2 — CID 109018341

IUPAC3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-3-15-4-6-16(7-5-15)18-17(22)8-9-19-10-12-20(13-11-19)14(2)21/h4-7H,3,8-13H2,1-2H3,(H,18,22)
InChIKeyNMPICDJQEOABOL-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.74
Rot. Bonds5

About 3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide

3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide (PubChem CID 109018341) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide
PubChem CID109018341
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-3-15-4-6-16(7-5-15)18-17(22)8-9-19-10-12-20(13-11-19)14(2)21/h4-7H,3,8-13H2,1-2H3,(H,18,22)
InChIKeyNMPICDJQEOABOL-UHFFFAOYSA-N
XLogP1.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
CID 28793141
N-(4-ethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196973
ethyl 4-[3-(4-ethoxycarbonylanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 109029191
N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109029533
N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 148502419
N-(4-acetylphenyl)-3-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanamide
CID 31932540
N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104950
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 109018277
ethyl 4-[3-(4-methylpiperazin-1-yl)propanoylamino]benzoate
CID 109017437
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113117729
ethyl 4-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]piperazine-1-carboxylate
CID 109029167

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide (CID 109018341) is 3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCN2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide?
The InChIKey is NMPICDJQEOABOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-15-4-6-16(7-5-15)18-17(22)8-9-19-10-12-20(13-11-19)14(2)21/h4-7H,3,8-13H2,1-2H3,(H,18,22).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide?
3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide has a molecular weight of 303.41 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 109018341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).