2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide

C17H27N3O — CID 119393088

IUPAC2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
SMILESCCc1ccc(CC(=O)NCCCN2CCNCC2)cc1
InChIInChI=1S/C17H27N3O/c1-2-15-4-6-16(7-5-15)14-17(21)19-8-3-11-20-12-9-18-10-13-20/h4-7,18H,2-3,8-14H2,1H3,(H,19,21)
InChIKeyRRZDIUWSGIKDAQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.20
Rot. Bonds7

About 2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide

2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide (PubChem CID 119393088) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
PubChem CID119393088
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
SMILESCCc1ccc(CC(=O)NCCCN2CCNCC2)cc1
InChIInChI=1S/C17H27N3O/c1-2-15-4-6-16(7-5-15)14-17(21)19-8-3-11-20-12-9-18-10-13-20/h4-7,18H,2-3,8-14H2,1H3,(H,19,21)
InChIKeyRRZDIUWSGIKDAQ-UHFFFAOYSA-N
XLogP1.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393087
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394251
N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107024029
N-(3-piperazin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 119393716
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 119392944
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
2-(1,3-benzodioxol-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392274
2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391201
2-(3-fluoro-4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390744
N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 119393671

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide (CID 119393088) is 2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide is CCc1ccc(CC(=O)NCCCN2CCNCC2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide?
The InChIKey is RRZDIUWSGIKDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-15-4-6-16(7-5-15)14-17(21)19-8-3-11-20-12-9-18-10-13-20/h4-7,18H,2-3,8-14H2,1H3,(H,19,21).
What are the key properties of 2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide?
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 119393088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).