2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride

C15H22ClF2N3O2 — CID 119391828

IUPAC2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(F)cc1F)NCCCN1CCNCC1
InChIInChI=1S/C15H21F2N3O2.ClH/c16-12-2-3-14(13(17)10-12)22-11-15(21)19-4-1-7-20-8-5-18-6-9-20;/h2-3,10,18H,1,4-9,11H2,(H,19,21);1H
InChIKeyOOMNLGKEVDLEIQ-UHFFFAOYSA-N
MW349.81 g/mol
LogP1.18
Rot. Bonds7

About 2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride

2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride (PubChem CID 119391828) has the molecular formula C15H22ClF2N3O2 and a molecular weight of 349.81 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
PubChem CID119391828
Molecular FormulaC15H22ClF2N3O2
Molecular Weight349.81 g/mol
Exact Mass349.14
IUPAC Name2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(F)cc1F)NCCCN1CCNCC1
InChIInChI=1S/C15H21F2N3O2.ClH/c16-12-2-3-14(13(17)10-12)22-11-15(21)19-4-1-7-20-8-5-18-6-9-20;/h2-3,10,18H,1,4-9,11H2,(H,19,21);1H
InChIKeyOOMNLGKEVDLEIQ-UHFFFAOYSA-N
XLogP1.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 51.18
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-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768
2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392853
2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119394421
3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391711
2-(3-fluoro-4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390744
2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide
CID 107318520
N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 119619857
3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid
CID 43170635
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
4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392670
4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide
CID 119445796

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride (CID 119391828) is 2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride is Cl.O=C(COc1ccc(F)cc1F)NCCCN1CCNCC1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is OOMNLGKEVDLEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2.ClH/c16-12-2-3-14(13(17)10-12)22-11-15(21)19-4-1-7-20-8-5-18-6-9-20;/h2-3,10,18H,1,4-9,11H2,(H,19,21);1H.
What are the key properties of 2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 349.81 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 119391828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).