2-(4-fluorophenyl)-N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide

C27H31FN4O2 — CID 26275783

IUPAC2-(4-fluorophenyl)-N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCCOc1ccc(CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C27H31FN4O2/c28-24-9-5-22(6-10-24)20-27(33)30-14-3-19-34-25-11-7-23(8-12-25)21-31-15-17-32(18-16-31)26-4-1-2-13-29-26/h1-2,4-13H,3,14-21H2,(H,30,33)
InChIKeyDILHXJBUAIZARL-UHFFFAOYSA-N
MW462.57 g/mol
LogP3.67
Rot. Bonds10

About 2-(4-fluorophenyl)-N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide

2-(4-fluorophenyl)-N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide (PubChem CID 26275783) has the molecular formula C27H31FN4O2 and a molecular weight of 462.57 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
PubChem CID26275783
Molecular FormulaC27H31FN4O2
Molecular Weight462.57 g/mol
Exact Mass462.24
IUPAC Name2-(4-fluorophenyl)-N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCCOc1ccc(CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C27H31FN4O2/c28-24-9-5-22(6-10-24)20-27(33)30-14-3-19-34-25-11-7-23(8-12-25)21-31-15-17-32(18-16-31)26-4-1-2-13-29-26/h1-2,4-13H,3,14-21H2,(H,30,33)
InChIKeyDILHXJBUAIZARL-UHFFFAOYSA-N
XLogP3.67
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide
CID 45248375
N-[3-(4-fluorophenoxy)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220277
2-(4-fluorophenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438580
N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108883277
2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439212
2-(4-fluorophenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39540125
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine
CID 3714513
2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122300013
N-[2-(3-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112970343
2-(4-acetamidophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide
CID 42572371
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43509569

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide (CID 26275783) is 2-(4-fluorophenyl)-N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide is O=C(Cc1ccc(F)cc1)NCCCOc1ccc(CN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide?
The InChIKey is DILHXJBUAIZARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O2/c28-24-9-5-22(6-10-24)20-27(33)30-14-3-19-34-25-11-7-23(8-12-25)21-31-15-17-32(18-16-31)26-4-1-2-13-29-26/h1-2,4-13H,3,14-21H2,(H,30,33).
What are the key properties of 2-(4-fluorophenyl)-N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide?
2-(4-fluorophenyl)-N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide has a molecular weight of 462.57 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide is sourced from PubChem (CID 26275783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).