2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide

C16H25N3O — CID 43443368

IUPAC2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
SMILESCc1ccccc1CC(=O)NCCCN1CCNCC1
InChIInChI=1S/C16H25N3O/c1-14-5-2-3-6-15(14)13-16(20)18-7-4-10-19-11-8-17-9-12-19/h2-3,5-6,17H,4,7-13H2,1H3,(H,18,20)
InChIKeyOIJNTEMUKPXQQW-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.95
Rot. Bonds6

About 2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide

2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide (PubChem CID 43443368) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
PubChem CID43443368
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
SMILESCc1ccccc1CC(=O)NCCCN1CCNCC1
InChIInChI=1S/C16H25N3O/c1-14-5-2-3-6-15(14)13-16(20)18-7-4-10-19-11-8-17-9-12-19/h2-3,5-6,17H,4,7-13H2,1H3,(H,18,20)
InChIKeyOIJNTEMUKPXQQW-UHFFFAOYSA-N
XLogP0.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.95
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-[3-[(2-methylphenyl)methoxy]phenyl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119390993
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108897157
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393088
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393087
2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 62537843
2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394251
2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 110721082
N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107024029
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119393183
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide (CID 43443368) is 2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide is Cc1ccccc1CC(=O)NCCCN1CCNCC1.
What is the InChIKey of 2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide?
The InChIKey is OIJNTEMUKPXQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-14-5-2-3-6-15(14)13-16(20)18-7-4-10-19-11-8-17-9-12-19/h2-3,5-6,17H,4,7-13H2,1H3,(H,18,20).
What are the key properties of 2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide?
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 43443368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).