2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride

C15H23ClFN3O2 — CID 119392768

IUPAC2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccccc1F)NCCCN1CCNCC1
InChIInChI=1S/C15H22FN3O2.ClH/c16-13-4-1-2-5-14(13)21-12-15(20)18-6-3-9-19-10-7-17-8-11-19;/h1-2,4-5,17H,3,6-12H2,(H,18,20);1H
InChIKeyKQUXANFPDLXUAO-UHFFFAOYSA-N
MW331.82 g/mol
LogP1.04
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride

2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride (PubChem CID 119392768) has the molecular formula C15H23ClFN3O2 and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
PubChem CID119392768
Molecular FormulaC15H23ClFN3O2
Molecular Weight331.82 g/mol
Exact Mass331.15
IUPAC Name2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccccc1F)NCCCN1CCNCC1
InChIInChI=1S/C15H22FN3O2.ClH/c16-13-4-1-2-5-14(13)21-12-15(20)18-6-3-9-19-10-7-17-8-11-19;/h1-2,4-5,17H,3,6-12H2,(H,18,20);1H
InChIKeyKQUXANFPDLXUAO-UHFFFAOYSA-N
XLogP1.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391828
2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392853
2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 90500606
2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394011
3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391711
3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391836
2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119394421
4-(2-bromophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119393381
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide
CID 42224986
4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide
CID 119392706
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
2-(2-hydroxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 78784092

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride (CID 119392768) is 2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride is Cl.O=C(COc1ccccc1F)NCCCN1CCNCC1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is KQUXANFPDLXUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2.ClH/c16-13-4-1-2-5-14(13)21-12-15(20)18-6-3-9-19-10-7-17-8-11-19;/h1-2,4-5,17H,3,6-12H2,(H,18,20);1H.
What are the key properties of 2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 331.82 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 119392768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).