3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide

C15H22FN3O2 — CID 119445997

IUPAC3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
SMILESO=C(CCOc1ccc(F)cc1)NCCN1CCNCC1
InChIInChI=1S/C15H22FN3O2/c16-13-1-3-14(4-2-13)21-12-5-15(20)18-8-11-19-9-6-17-7-10-19/h1-4,17H,5-12H2,(H,18,20)
InChIKeyQIXVZFCZVKLHFQ-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.62
Rot. Bonds7

About 3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide

3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide (PubChem CID 119445997) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
PubChem CID119445997
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
SMILESO=C(CCOc1ccc(F)cc1)NCCN1CCNCC1
InChIInChI=1S/C15H22FN3O2/c16-13-1-3-14(4-2-13)21-12-5-15(20)18-8-11-19-9-6-17-7-10-19/h1-4,17H,5-12H2,(H,18,20)
InChIKeyQIXVZFCZVKLHFQ-UHFFFAOYSA-N
XLogP0.62
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391711
4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119445383
3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119447863
3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119447173
3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 39256403
4-(4-ethoxyphenyl)-4-oxo-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119448841
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607
3-(3,5-dimethylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393354
4-(2-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119449031
3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 103206343
3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391836

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide (CID 119445997) is 3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide is O=C(CCOc1ccc(F)cc1)NCCN1CCNCC1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
The InChIKey is QIXVZFCZVKLHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c16-13-1-3-14(4-2-13)21-12-5-15(20)18-8-11-19-9-6-17-7-10-19/h1-4,17H,5-12H2,(H,18,20).
What are the key properties of 3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide has a molecular weight of 295.36 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide is sourced from PubChem (CID 119445997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).