3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride

C16H25ClFN3O2 — CID 119391711

IUPAC3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCl.O=C(CCOc1ccc(F)cc1)NCCCN1CCNCC1
InChIInChI=1S/C16H24FN3O2.ClH/c17-14-2-4-15(5-3-14)22-13-6-16(21)19-7-1-10-20-11-8-18-9-12-20;/h2-5,18H,1,6-13H2,(H,19,21);1H
InChIKeySAZRMHHCVVQWOR-UHFFFAOYSA-N
MW345.85 g/mol
LogP1.43
Rot. Bonds8

About 3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride

3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (PubChem CID 119391711) has the molecular formula C16H25ClFN3O2 and a molecular weight of 345.85 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
PubChem CID119391711
Molecular FormulaC16H25ClFN3O2
Molecular Weight345.85 g/mol
Exact Mass345.16
IUPAC Name3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCl.O=C(CCOc1ccc(F)cc1)NCCCN1CCNCC1
InChIInChI=1S/C16H24FN3O2.ClH/c17-14-2-4-15(5-3-14)22-13-6-16(21)19-7-1-10-20-11-8-18-9-12-20;/h2-5,18H,1,6-13H2,(H,19,21);1H
InChIKeySAZRMHHCVVQWOR-UHFFFAOYSA-N
XLogP1.43
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 51.43
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

3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445997
3-(3,5-dimethylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393354
3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391836
4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119445383
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391828
2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
4-(2-bromophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119393381
3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318784
4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide
CID 119392706
3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119447173

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The IUPAC name of 3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (CID 119391711) is 3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The canonical SMILES for 3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is Cl.O=C(CCOc1ccc(F)cc1)NCCCN1CCNCC1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The InChIKey is SAZRMHHCVVQWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2.ClH/c17-14-2-4-15(5-3-14)22-13-6-16(21)19-7-1-10-20-11-8-18-9-12-20;/h2-5,18H,1,6-13H2,(H,19,21);1H.
What are the key properties of 3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride has a molecular weight of 345.85 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 119391711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).